Geometry & MOs

Info

ID:	252933
PubChem CID:	103114999
Reduced:	SN3O4C13H21 (1)
Stoich.:	AB3C4D13E21 (1)
Weight, g/mol:	281.056719
ΔH_f, kcal/mol:	-83.12
Dipole, Da:	7.3
IP(EA), eV:	-9.35(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-chlorophenyl)methyl]-1-(2-hydroxyethyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNS(=O)(=O)CCNC(C)C

DOS

IR

Vibrations