Geometry & MOs

Info

ID:

112156

PubChem CID:

50397662

Reduced:

O5N6C39H52 (1)

Stoich.:

A5B6C39D52 (1)

Weight, g/mol:

698.415569

ΔHf, kcal/mol:

-225.73

Dipole, Da:

5.57

IP(EA), eV:

 -8.92(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[3-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-(cyclohexylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4)C(=O)NC5CCCC5)C(=O)NC6CCCCC6

DOS

IR

Vibrations