Geometry & MOs

Info

ID:	360004
PubChem CID:	127300148
Reduced:	S2O3N5C10H17 (1)
Stoich.:	A2B3C5D10E17 (1)
Weight, g/mol:	356.130697
ΔH_f, kcal/mol:	-60.52
Dipole, Da:	4.42
IP(EA), eV:	-9.9(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea

Drug info:

PubChemData

Smile

C1CC(C1)CNS(=O)(=O)CCNC(=O)NC2=NN=CS2

DOS

IR

Vibrations