Geometry & MOs

Info

ID:

117879

PubChem CID:

50618764

Reduced:

ClN6O6C33H41 (1)

Stoich.:

AB6C6D33E41 (1)

Weight, g/mol:

728.252539

ΔHf, kcal/mol:

-229.42

Dipole, Da:

11.86

IP(EA), eV:

 -8.98(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(phenylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[4-[(3-fluorobenzoyl)amino]-3-methoxyanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)NC)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)C(=O)N5CCOCC5

DOS

IR

Vibrations