Geometry & MOs

Info

ID:

110625

PubChem CID:

50332760

Reduced:

O4N5C35H49 (1)

Stoich.:

A4B5C35D49 (1)

Weight, g/mol:

617.35772

ΔHf, kcal/mol:

-191.17

Dipole, Da:

8.05

IP(EA), eV:

 -8.78(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-acetylanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N4CCCCC4)C

DOS

IR

Vibrations