Geometry & MOs

Info

ID:	360530
PubChem CID:	127301175
Reduced:	N3O3C22H37 (1)
Stoich.:	A3B3C22D37 (1)
Weight, g/mol:	385.032161
ΔH_f, kcal/mol:	-160.81
Dipole, Da:	1.0
IP(EA), eV:	-8.74(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-pyridin-3-ylethanone

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2)NC(=O)CCN3CCN(CC3)C(=O)C4CCCO4)C)C

DOS

IR

Vibrations