Geometry & MOs

Info

ID:	322186
PubChem CID:	126669171
Reduced:	NOC14H19 (1)
Stoich.:	ABC14D19 (1)
Weight, g/mol:	351.071134
ΔH_f, kcal/mol:	-9.44
Dipole, Da:	1.15
IP(EA), eV:	-8.6(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)/C(=N/OCC)/CCC2

DOS

IR

Vibrations