Geometry & MOs

Info

ID:

107108

PubChem CID:

50189959

Reduced:

O5N6C39H54 (1)

Stoich.:

A5B6C39D54 (1)

Weight, g/mol:

604.337319

ΔHf, kcal/mol:

-231.33

Dipole, Da:

5.72

IP(EA), eV:

 -8.9(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-carbamoyl-2-methylanilino)-3-oxopropyl]-1-[2-[2-methyl-4-(4-methylpiperidine-1-carbonyl)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)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5CCCC5)C)C

DOS

IR

Vibrations