Geometry & MOs

Info

ID:	246631
PubChem CID:	103064061
Reduced:	ClSN2O3C12H13 (1)
Stoich.:	ABC2D3E12F13 (1)
Weight, g/mol:	285.089561
ΔH_f, kcal/mol:	-118.11
Dipole, Da:	7.86
IP(EA), eV:	-9.01(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CSCC1NC(=O)NC2=CC(=CC(=C2)C(=O)O)Cl

DOS

IR

Vibrations