Geometry & MOs

Info

ID:	82559
PubChem CID:	49856178
Reduced:	F6O7H24C32 (1)
Stoich.:	A6B7C24D32 (1)
Weight, g/mol:	558.188983
ΔH_f, kcal/mol:	-534.65
Dipole, Da:	8.94
IP(EA), eV:	-9.46(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(9R,10R)-2-ethyl-9-(2-methoxybenzoyl)oxy-8,8-dimethyl-4-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 2-methoxybenzoate

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

CCC1=CC(=O)C2=C(O1)C3=C(C=C2)OC([C@@H]([C@@H]3OC(=O)C4=CC=CC=C4C(F)(F)F)OC(=O)C5=CC=CC=C5C(F)(F)F)(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

CCC1=CC(=O)C2=C(O1)C3=C(C=C2)OC([C@@H]([C@@H]3OC(=O)C4=CC=CC=C4C(F)(F)F)OC(=O)C5=CC=CC=C5C(F)(F)F)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):