Geometry & MOs

Info

ID:

95327

PubChem CID:

50008339

Reduced:

O5N6C32H36 (1)

Stoich.:

A5B6C32D36 (1)

Weight, g/mol:

632.251396

ΔHf, kcal/mol:

-156.11

Dipole, Da:

9.56

IP(EA), eV:

 -8.81(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations