Geometry & MOs

Info

ID:

326492

PubChem CID:

126687661

Reduced:

N2O7C33H52 (1)

Stoich.:

A2B7C33D52 (1)

Weight, g/mol:

431.173273

ΔHf, kcal/mol:

-300.82

Dipole, Da:

5.31

IP(EA), eV:

-9.48(0.3)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-[(3S)-6-[[(1R)-4-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)N[C@@H](C(C)C)C(=O)NC1C(C(C(OC1O)CO)O)O

DOS

IR

Vibrations