Geometry & MOs

Info

ID:	164636
PubChem CID:	74429594
Reduced:	FO4N5C33H50 (1)
Stoich.:	AB4C5D33E50 (1)
Weight, g/mol:	810.340398
ΔH_f, kcal/mol:	-237.74
Dipole, Da:	3.59
IP(EA), eV:	-8.56(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,9-dihydroxy-2,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-yl]-[5,6-dihydroxy-2-(7-hydroxy-2,2-dimethylchromen-6-yl)-7-(3-methylbut-2-enyl)-1-benzofuran-3-yl]methanone

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

CC1=CC(=NC(=C1)NC(=O)OC(C)(C)C)CC2CN(CC2N(C)CCN(C)CCC3=CC(=CC=C3)F)C(=O)OC(C)(C)C

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

CC1=CC(=NC(=C1)NC(=O)OC(C)(C)C)CC2CN(CC2N(C)CCN(C)CCC3=CC(=CC=C3)F)C(=O)OC(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):