Geometry & MOs

Info

ID:

119886

PubChem CID:

50706230

Reduced:

ClO5N6C33H37 (1)

Stoich.:

AB5C6D33E37 (1)

Weight, g/mol:

674.298346

ΔHf, kcal/mol:

-171.87

Dipole, Da:

6.76

IP(EA), eV:

 -8.76(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(phenylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[2-(diethylcarbamoyl)-6-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)Cl

DOS

IR

Vibrations