Geometry & MOs

Info

ID:

90429

PubChem CID:

49969611

Reduced:

O5N6C40H50 (1)

Stoich.:

A5B6C40D50 (1)

Weight, g/mol:

638.298346

ΔHf, kcal/mol:

-193.76

Dipole, Da:

13.45

IP(EA), eV:

 -8.73(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(5-acetamido-2-chloroanilino)-3-oxopropyl]-1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC=C4C(=O)NC5=CC=CC=C5C)C

DOS

IR

Vibrations