Geometry & MOs

Info

ID:

119161

PubChem CID:

50672375

Reduced:

Cl2O5N6C38H52 (1)

Stoich.:

A2B5C6D38E52 (1)

Weight, g/mol:

766.337624

ΔHf, kcal/mol:

-247.62

Dipole, Da:

10.03

IP(EA), eV:

 -8.73(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-chloro-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[5-chloro-2-(3-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C)Cl

DOS

IR

Vibrations