Geometry & MOs

Info

ID:

116330

PubChem CID:

50556579

Reduced:

Cl2O5N6C36H48 (1)

Stoich.:

A2B5C6D36E48 (1)

Weight, g/mol:

748.290674

ΔHf, kcal/mol:

-232.46

Dipole, Da:

5.85

IP(EA), eV:

 -9.03(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(4-chlorobenzoyl)amino]-3-methylanilino]-1-oxopropan-2-yl]-1-[1-[4-chloro-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCC(C4)C)Cl

DOS

IR

Vibrations