Geometry & MOs

Info

ID:

119985

PubChem CID:

50710288

Reduced:

Cl2O5N6C39H46 (1)

Stoich.:

A2B5C6D39E46 (1)

Weight, g/mol:

744.340211

ΔHf, kcal/mol:

-201.81

Dipole, Da:

7.97

IP(EA), eV:

 -8.71(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[4-methoxy-3-[(4-methylbenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=CC=C5C)Cl

DOS

IR

Vibrations