Geometry & MOs

Info

ID:

109691

PubChem CID:

50294329

Reduced:

N3O3C19H23 (2)

Stoich.:

A3B3C19D23 (2)

Weight, g/mol:

742.309053

ΔHf, kcal/mol:

-216.35

Dipole, Da:

5.31

IP(EA), eV:

 -8.28(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-1-[1-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)OC)NC(=O)C)C

DOS

IR

Vibrations