Geometry & MOs

Info

ID:

113788

PubChem CID:

50458610

Reduced:

O5N6C35H42 (1)

Stoich.:

A5B6C35D42 (1)

Weight, g/mol:

666.352969

ΔHf, kcal/mol:

-169.55

Dipole, Da:

4.25

IP(EA), eV:

 -8.91(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-[3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC(=C3)C(=O)NC(C)C)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations