Geometry & MOs

Info

ID:

91266

PubChem CID:

49974700

Reduced:

N5O6C35H47 (1)

Stoich.:

A5B6C35D47 (1)

Weight, g/mol:

623.287447

ΔHf, kcal/mol:

-245.93

Dipole, Da:

10.85

IP(EA), eV:

 -8.88(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(3-methylpiperidine-1-carbonyl)phenyl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)OC)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)C

DOS

IR

Vibrations