Geometry & MOs

Info

ID:

91240

PubChem CID:

49974315

Reduced:

N5O6C32H41 (1)

Stoich.:

A5B6C32D41 (1)

Weight, g/mol:

647.291926

ΔHf, kcal/mol:

-219.1

Dipole, Da:

8.77

IP(EA), eV:

 -8.89(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(2,4-difluorophenyl)carbamoyl]-2-methylphenyl]-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)N5CCOCC5

DOS

IR

Vibrations