Geometry & MOs

Info

ID:

118635

PubChem CID:

50650950

Reduced:

Cl2O5N6C32H42 (1)

Stoich.:

A2B5C6D32E42 (1)

Weight, g/mol:

674.275024

ΔHf, kcal/mol:

-232.82

Dipole, Da:

9.28

IP(EA), eV:

 -9.13(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=C(C=C1)Cl)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NCC(C)C)Cl

DOS

IR

Vibrations