Geometry & MOs

Info

ID:

111229

PubChem CID:

50359454

Reduced:

N3O3C16H21 (2)

Stoich.:

A3B3C16D21 (2)

Weight, g/mol:

640.277611

ΔHf, kcal/mol:

-228.96

Dipole, Da:

6.24

IP(EA), eV:

 -8.86(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-2-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[2-methyl-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC(=C3C)C(=O)N(C)C)C(=O)N4CCOCC4

DOS

IR

Vibrations