Geometry & MOs

Info

ID:

112945

PubChem CID:

50426912

Reduced:

N3O3C17H23 (2)

Stoich.:

A3B3C17D23 (2)

Weight, g/mol:

744.263852

ΔHf, kcal/mol:

-243.09

Dipole, Da:

8.08

IP(EA), eV:

 -8.79(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]-1-[1-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=C(C=C3)C(=O)N4CCOCC4)C(=O)NC

DOS

IR

Vibrations