Geometry & MOs

Info

ID:

103730

PubChem CID:

50072522

Reduced:

ClO5N6C40H43 (1)

Stoich.:

AB5C6D40E43 (1)

Weight, g/mol:

722.298346

ΔHf, kcal/mol:

-160.56

Dipole, Da:

8.42

IP(EA), eV:

 -8.58(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-[(3-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[1-[2-methyl-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=CC=C5C)Cl

DOS

IR

Vibrations