Geometry & MOs

Info

ID:

118175

PubChem CID:

50631904

Reduced:

ClO5N6C39H45 (1)

Stoich.:

AB5C6D39E45 (1)

Weight, g/mol:

686.298346

ΔHf, kcal/mol:

-183.58

Dipole, Da:

6.57

IP(EA), eV:

 -8.93(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC(=C(C=C5)Cl)C(=O)NC6=CC=CC=C6

DOS

IR

Vibrations