Geometry & MOs

Info

ID:

117837

PubChem CID:

50617484

Reduced:

Cl2O5N6C36H48 (1)

Stoich.:

A2B5C6D36E48 (1)

Weight, g/mol:

738.293261

ΔHf, kcal/mol:

-224.98

Dipole, Da:

5.72

IP(EA), eV:

 -9.1(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-[3-[4-methoxy-3-[(2-methylbenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N(CC)CC

DOS

IR

Vibrations