Geometry & MOs

Info

ID:

116397

PubChem CID:

50558897

Reduced:

ClF2O5N6C35H39 (1)

Stoich.:

AB2C5D6E35F39 (1)

Weight, g/mol:

598.267046

ΔHf, kcal/mol:

-274.81

Dipole, Da:

11.86

IP(EA), eV:

 -9.02(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)F)F)Cl

DOS

IR

Vibrations