Geometry & MOs

Info

ID:

98560

PubChem CID:

50045029

Reduced:

F3O4N5C32H34 (1)

Stoich.:

A3B4C5D32E34 (1)

Weight, g/mol:

625.226739

ΔHf, kcal/mol:

-260.55

Dipole, Da:

9.48

IP(EA), eV:

 -8.87(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(2-methylpropanoylamino)phenyl]-1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)F)NC(=O)C(C)C

DOS

IR

Vibrations