Geometry & MOs

Info

ID:

95707

PubChem CID:

50012844

Reduced:

O5N6C35H50 (1)

Stoich.:

A5B6C35D50 (1)

Weight, g/mol:

674.298346

ΔHf, kcal/mol:

-212.84

Dipole, Da:

13.45

IP(EA), eV:

 -8.86(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(4-chlorobenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC(=C3C)C(=O)N(CC)CC

DOS

IR

Vibrations