Geometry & MOs

Info

ID:

96379

PubChem CID:

50020272

Reduced:

N3O3C16H22 (2)

Stoich.:

A3B3C16D22 (2)

Weight, g/mol:

688.313996

ΔHf, kcal/mol:

-234.36

Dipole, Da:

5.09

IP(EA), eV:

 -8.96(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-3-[(4-methylbenzoyl)amino]anilino]-2-oxoethyl]-1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)C(=O)NC)OC

DOS

IR

Vibrations