Geometry & MOs

Info

ID:

117811

PubChem CID:

50616463

Reduced:

Cl2O4N5C30H31 (1)

Stoich.:

A2B4C5D30E31 (1)

Weight, g/mol:

595.17531

ΔHf, kcal/mol:

-136.79

Dipole, Da:

7.54

IP(EA), eV:

 -8.64(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(5-carbamoyl-2-chloroanilino)-1-oxopropan-2-yl]-N-[3-[(3-chlorobenzoyl)amino]-4-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N)Cl)Cl

DOS

IR

Vibrations