Geometry & MOs

Info

ID:

375867

PubChem CID:

134221861

Reduced:

N2O6C33H38 (1)

Stoich.:

A2B6C33D38 (1)

Weight, g/mol:

499.235873

ΔHf, kcal/mol:

-220.34

Dipole, Da:

8.93

IP(EA), eV:

 -8.24(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(5,8-dimethyl-3,4-dihydro-2H-chromen-6-yl)-1-(4-methoxy-3-methylbenzoyl)-6-methyl-2,3-dihydroindol-5-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C(=O)N2CCC3=C2C=C(C(=C3C4=CC(=C5C(=C4C)CCCO5)OC)[C@@H](C(=O)O)OC(C)(C)C)C

DOS

IR

Vibrations