Geometry & MOs

Info

ID:

115743

PubChem CID:

50532562

Reduced:

Cl2O5N6C32H42 (1)

Stoich.:

A2B5C6D32E42 (1)

Weight, g/mol:

658.243724

ΔHf, kcal/mol:

-229.81

Dipole, Da:

4.52

IP(EA), eV:

 -8.99(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)NCC(C)C)Cl

DOS

IR

Vibrations