Geometry & MOs

Info

ID:

120503

PubChem CID:

50730593

Reduced:

ClO5N6C34H39 (1)

Stoich.:

AB5C6D34E39 (1)

Weight, g/mol:

728.228074

ΔHf, kcal/mol:

-182.35

Dipole, Da:

8.18

IP(EA), eV:

 -8.64(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=CC=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4C)Cl

DOS

IR

Vibrations