Geometry & MOs

Info

ID:

105298

PubChem CID:

50106860

Reduced:

ClO5N6C33H37 (1)

Stoich.:

AB5C6D33E37 (1)

Weight, g/mol:

618.235746

ΔHf, kcal/mol:

-182.97

Dipole, Da:

9.17

IP(EA), eV:

 -8.87(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-benzamido-4-chloroanilino)-1-oxopropan-2-yl]-1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations