Geometry & MOs

Info

ID:

92088

PubChem CID:

49982784

Reduced:

FO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

666.352969

ΔHf, kcal/mol:

-230.62

Dipole, Da:

10.58

IP(EA), eV:

 -8.8(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[2-methyl-4-(phenylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4)C(=O)NC5=CC(=C(C=C5)C)F

DOS

IR

Vibrations