Geometry & MOs

Info

ID:

108750

PubChem CID:

50256960

Reduced:

O5N6C34H40 (1)

Stoich.:

A5B6C34D40 (1)

Weight, g/mol:

626.321668

ΔHf, kcal/mol:

-162.23

Dipole, Da:

9.7

IP(EA), eV:

 -8.64(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-4-(phenylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[2-methyl-5-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N(C)C)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4)C

DOS

IR

Vibrations