Geometry & MOs

Info

ID:

109229

PubChem CID:

50277741

Reduced:

O5N6C42H48 (1)

Stoich.:

A5B6C42D48 (1)

Weight, g/mol:

702.352969

ΔHf, kcal/mol:

-168.03

Dipole, Da:

16.48

IP(EA), eV:

 -8.43(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-benzamido-3-methylanilino)-3-oxopropyl]-1-[1-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=CC=C5C)C)C

DOS

IR

Vibrations