Geometry & MOs

Info

ID:

117810

PubChem CID:

50616462

Reduced:

Cl2O4N5C29H29 (1)

Stoich.:

A2B4C5D29E29 (1)

Weight, g/mol:

595.17531

ΔHf, kcal/mol:

-121.78

Dipole, Da:

6.93

IP(EA), eV:

 -8.82(-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-chloro-4-[(3-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N)Cl)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations