Geometry & MOs

Info

ID:

118063

PubChem CID:

50627589

Reduced:

Cl2O5N6C32H34 (1)

Stoich.:

A2B5C6D32E34 (1)

Weight, g/mol:

618.235746

ΔHf, kcal/mol:

-182.41

Dipole, Da:

10.51

IP(EA), eV:

 -8.77(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2-carbamoylanilino)-2-oxoethyl]-1-[1-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4=CC=CC=C4)Cl

DOS

IR

Vibrations