Geometry & MOs

Info

ID:

113519

PubChem CID:

50449652

Reduced:

ClF2O4N5H32C35 (1)

Stoich.:

AB2C4D5E32F35 (1)

Weight, g/mol:

625.226739

ΔHf, kcal/mol:

-188.3

Dipole, Da:

4.47

IP(EA), eV:

 -8.93(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=CC=C4)Cl)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations