Geometry & MOs

Info

ID:

191523

PubChem CID:

78157953

Reduced:

O4C19H30 (2)

Stoich.:

A4B19C30 (2)

Weight, g/mol:

548.219889

ΔHf, kcal/mol:

-377.67

Dipole, Da:

4.96

IP(EA), eV:

 -9.09(0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]-3-[2-(4-methoxybenzoyl)-1-benzofuran-5-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(CC=CC(C)(C)OC)C1CCC2(C1(CCC34C2C=CC5(C3CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)O)O)OC4=C)C)C

DOS

IR

Vibrations