Geometry & MOs

Info

ID:

119827

PubChem CID:

50703769

Reduced:

Cl2O5N6C35H40 (1)

Stoich.:

A2B5C6D35E40 (1)

Weight, g/mol:

714.212424

ΔHf, kcal/mol:

-177.67

Dipole, Da:

9.37

IP(EA), eV:

 -8.78(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(phenylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[4-chloro-3-(phenylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)Cl)Cl

DOS

IR

Vibrations