Geometry & MOs

Info

ID:

183037

PubChem CID:

76971075

Reduced:

ON2H13C14 (2)

Stoich.:

AB2C13D14 (2)

Weight, g/mol:

1350.616728

ΔHf, kcal/mol:

15.35

Dipole, Da:

6.21

IP(EA), eV:

 -9.52(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide;2-methyl-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide;2-methyl-N-[(1R,2S)-2-[(2-methylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N[C@H](C2=CC=NC=C2)[C@H](C3=CC=NC=C3)NC(=O)C4=CC=CC=C4C

DOS

IR

Vibrations