Geometry & MOs

Info

ID:

105197

PubChem CID:

50106608

Reduced:

O5N6C33H44 (1)

Stoich.:

A5B6C33D44 (1)

Weight, g/mol:

542.204446

ΔHf, kcal/mol:

-214.58

Dipole, Da:

6.08

IP(EA), eV:

 -9.24(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-carbamoyl-4-chloroanilino)-3-oxopropyl]-1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)N)C

DOS

IR

Vibrations