Geometry & MOs

Info

ID:

120473

PubChem CID:

50729117

Reduced:

ClO5N6C38H39 (1)

Stoich.:

AB5C6D38E39 (1)

Weight, g/mol:

712.257624

ΔHf, kcal/mol:

-146.26

Dipole, Da:

4.59

IP(EA), eV:

 -8.51(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-[2-[3-[(4-fluorobenzoyl)amino]-4-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4C)Cl)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations