Geometry & MOs

Info

ID:

91485

PubChem CID:

49976306

Reduced:

N5O5C35H41 (1)

Stoich.:

A5B5C35D41 (1)

Weight, g/mol:

645.271797

ΔHf, kcal/mol:

-164.34

Dipole, Da:

8.31

IP(EA), eV:

 -8.54(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)C

DOS

IR

Vibrations