Geometry & MOs

Info

ID:

91951

PubChem CID:

49980671

Reduced:

O4N5C32H41 (1)

Stoich.:

A4B5C32D41 (1)

Weight, g/mol:

613.306433

ΔHf, kcal/mol:

-156.54

Dipole, Da:

10.87

IP(EA), eV:

 -8.82(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[(4-fluorophenyl)methylcarbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)N5CCCC5

DOS

IR

Vibrations