Geometry & MOs

Info

ID:	364073
PubChem CID:	127313862
Reduced:	SO2N4C15H22 (1)
Stoich.:	AB2C4D15E22 (1)
Weight, g/mol:	398.144633
ΔH_f, kcal/mol:	-45.04
Dipole, Da:	3.45
IP(EA), eV:	-8.87(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1CC1)CC(=O)NC2=NC3=C(S2)CCCC3

DOS

IR

Vibrations