Geometry & MOs

Info

ID:

115988

PubChem CID:

50542381

Reduced:

BrClO4N5C31H39 (1)

Stoich.:

ABC4D5E31F39 (1)

Weight, g/mol:

629.25356

ΔHf, kcal/mol:

-161.63

Dipole, Da:

7.84

IP(EA), eV:

 -8.86(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-chloro-2-methylphenyl)-1-[1-[1-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC=C4Br)Cl

DOS

IR

Vibrations