Geometry & MOs

Info

ID:

115984

PubChem CID:

50542377

Reduced:

ClN3O3C18H24 (2)

Stoich.:

AB3C3D18E24 (2)

Weight, g/mol:

728.321974

ΔHf, kcal/mol:

-270.25

Dipole, Da:

6.32

IP(EA), eV:

 -9.07(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-2-(cyclopentylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)N4CCOCC4)Cl

DOS

IR

Vibrations