Geometry & MOs

Info

ID:

92814

PubChem CID:

49989707

Reduced:

O5N6C41H50 (1)

Stoich.:

A5B6C41D50 (1)

Weight, g/mol:

724.374847

ΔHf, kcal/mol:

-185.31

Dipole, Da:

12.67

IP(EA), eV:

 -8.72(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-[(3-fluorobenzoyl)amino]-4-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)C)NC(=O)C6=CC=CC=C6

DOS

IR

Vibrations