Geometry & MOs

Info

ID:	246650
PubChem CID:	103064386
Reduced:	NSO4C10H11 (1)
Stoich.:	ABC4D10E11 (1)
Weight, g/mol:	256.063011
ΔH_f, kcal/mol:	-135.49
Dipole, Da:	3.68
IP(EA), eV:	-8.94(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(thiolan-3-ylcarbamoyl)triazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1CSCC1NC(=O)C2=CC(=CO2)C(=O)O

DOS

IR

Vibrations