Geometry & MOs

Info

ID:

120259

PubChem CID:

50720097

Reduced:

Cl2O5N6C35H40 (1)

Stoich.:

A2B5C6D35E40 (1)

Weight, g/mol:

632.228074

ΔHf, kcal/mol:

-192.56

Dipole, Da:

7.91

IP(EA), eV:

 -8.77(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)C)Cl

DOS

IR

Vibrations