Geometry & MOs

Info

ID:

106460

PubChem CID:

50164360

Reduced:

O5N6C36H50 (1)

Stoich.:

A5B6C36D50 (1)

Weight, g/mol:

728.345296

ΔHf, kcal/mol:

-232.59

Dipole, Da:

2.77

IP(EA), eV:

 -8.65(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(3-chlorobenzoyl)amino]-4-methylanilino]-2-oxoethyl]-1-[1-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4CCCCC4C)C)C

DOS

IR

Vibrations