Geometry & MOs

Info

ID:

108723

PubChem CID:

50255942

Reduced:

O5N6C38H46 (1)

Stoich.:

A5B6C38D46 (1)

Weight, g/mol:

665.258039

ΔHf, kcal/mol:

-183.68

Dipole, Da:

2.37

IP(EA), eV:

 -8.71(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(cyclohexanecarbonylamino)phenyl]-1-[2-[4-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC(=C4)NC(=O)C5CCCCC5

DOS

IR

Vibrations