Geometry & MOs

Info

ID:

91942

PubChem CID:

49980608

Reduced:

O4N5C33H43 (1)

Stoich.:

A4B5C33D43 (1)

Weight, g/mol:

599.290783

ΔHf, kcal/mol:

-164.04

Dipole, Da:

3.84

IP(EA), eV:

 -8.9(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[4-[(4-fluorophenyl)carbamoyl]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(=C4)C(=O)N5CCCCC5

DOS

IR

Vibrations