Geometry & MOs

Info

ID:	196209
PubChem CID:	78797869
Reduced:	OSN3C14H23 (1)
Stoich.:	ABC3D14E23 (1)
Weight, g/mol:	371.133734
ΔH_f, kcal/mol:	-35.56
Dipole, Da:	7.11
IP(EA), eV:	-8.51(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=C(N(C(=N1)SCC(=O)NCC=C)CC(C)C)C

DOS

IR

Vibrations