Geometry & MOs

Info

ID:

112373

PubChem CID:

50404615

Reduced:

O5N6C31H42 (1)

Stoich.:

A5B6C31D42 (1)

Weight, g/mol:

618.352969

ΔHf, kcal/mol:

-214.16

Dipole, Da:

7.12

IP(EA), eV:

 -8.88(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC(C)C)C(=O)NC

DOS

IR

Vibrations