Geometry & MOs

Info

ID:

375866

PubChem CID:

134221860

Reduced:

N2O5C29H30 (1)

Stoich.:

A2B5C29D30 (1)

Weight, g/mol:

558.272987

ΔHf, kcal/mol:

-162.6

Dipole, Da:

9.96

IP(EA), eV:

 -8.58(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[4-(8-methoxy-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-1-(6-methylpyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations