Geometry & MOs

Info

ID:	156068
PubChem CID:	56368995
Reduced:	SO3N4C20H28 (1)
Stoich.:	AB3C4D20E28 (1)
Weight, g/mol:	399.0713
ΔH_f, kcal/mol:	-88.35
Dipole, Da:	6.19
IP(EA), eV:	-8.42(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-chloropyridin-3-yl)-[4-(cyclohexylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=NN1)NC(=O)C(CCSC)NC(=O)C2=CC=CC=C2OC

DOS

IR

Vibrations