Geometry & MOs

Info

ID:

328770

PubChem CID:

126727608

Reduced:

N2O3C12H18 (1)

Stoich.:

A2B3C12D18 (1)

Weight, g/mol:

672.370927

ΔHf, kcal/mol:

-135.89

Dipole, Da:

3.89

IP(EA), eV:

 -9.74(0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-N-[6-tert-butyl-2-(2,4-dimethylphenyl)-2,3-dihydropyridin-4-yl]-2-[3-[[(2R)-6-methoxy-7-(2-methoxyethoxy)-2-methyl-1,2,5,6-tetrahydroquinolin-4-yl]sulfanyl]cyclohexa-1,5-dien-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2C(C1)CC2(CC(=O)O)CNC(=O)N

DOS

IR

Vibrations