Geometry & MOs

Info

ID:

91213

PubChem CID:

49974092

Reduced:

N3O3C21H26 (2)

Stoich.:

A3B3C21D26 (2)

Weight, g/mol:

623.287447

ΔHf, kcal/mol:

-213.68

Dipole, Da:

9.75

IP(EA), eV:

 -8.35(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)NC(=O)C6=CC=CC=C6OC

DOS

IR

Vibrations