Geometry & MOs

Info

ID:

109770

PubChem CID:

50296565

Reduced:

O4N5C35H41 (1)

Stoich.:

A4B5C35D41 (1)

Weight, g/mol:

742.309053

ΔHf, kcal/mol:

-132.13

Dipole, Da:

9.09

IP(EA), eV:

 -8.59(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(2,4-difluorophenyl)carbamoyl]-6-methylanilino]-1-oxopropan-2-yl]-1-[1-[4-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCCC2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=CC=C5C)C

DOS

IR

Vibrations