Geometry & MOs

Info

ID:

91204

PubChem CID:

49974057

Reduced:

N5O6C33H43 (1)

Stoich.:

A5B6C33D43 (1)

Weight, g/mol:

746.392247

ΔHf, kcal/mol:

-220.5

Dipole, Da:

5.23

IP(EA), eV:

 -8.94(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(cyclohexylcarbamoyl)phenyl]-1-[1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCCC5)OC

DOS

IR

Vibrations