Geometry & MOs

Info

ID:

92917

PubChem CID:

49990521

Reduced:

O4N5C36H49 (1)

Stoich.:

A4B5C36D49 (1)

Weight, g/mol:

631.37337

ΔHf, kcal/mol:

-178.91

Dipole, Da:

7.21

IP(EA), eV:

 -8.85(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC(C)C5=CC=CC=C5

DOS

IR

Vibrations