Geometry & MOs

Info

ID:

111572

PubChem CID:

50373181

Reduced:

ClO4N5C32H42 (1)

Stoich.:

AB4C5D32E42 (1)

Weight, g/mol:

734.355861

ΔHf, kcal/mol:

-182.69

Dipole, Da:

5.72

IP(EA), eV:

 -8.8(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-1-[1-[1-[3-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)C)Cl)C

DOS

IR

Vibrations