Geometry & MOs

Info

ID:

120091

PubChem CID:

50713447

Reduced:

ClO5N6C33H43 (1)

Stoich.:

AB5C6D33E43 (1)

Weight, g/mol:

658.243724

ΔHf, kcal/mol:

-214.68

Dipole, Da:

10.11

IP(EA), eV:

 -9.01(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-chloro-2-(cyclohexylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[2-chloro-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC)Cl)C

DOS

IR

Vibrations