Geometry & MOs

Info

ID:	298088
PubChem CID:	117647481
Reduced:	F2O3N8C22H28 (1)
Stoich.:	A2B3C8D22E28 (1)
Weight, g/mol:	926.190558
ΔH_f, kcal/mol:	-155.36
Dipole, Da:	3.21
IP(EA), eV:	-9.09(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R)-6-[[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]methyl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4-dihydroxy-5-methylbenzoate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=O)N1CCC([C@H](C1)N)NC2=C(C=C(C(=N2)NC3=C(C(=NC=C3)N4CCOCC4)F)C(=O)N)F

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=O)N1CCC([C@H](C1)N)NC2=C(C=C(C(=N2)NC3=C(C(=NC=C3)N4CCOCC4)F)C(=O)N)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):