Geometry & MOs

Info

ID:	57895
PubChem CID:	24278339
Reduced:	SCl2O2N3H11C16 (1)
Stoich.:	AB2C2D3E11F16 (1)
Weight, g/mol:	270.991532
ΔH_f, kcal/mol:	11.06
Dipole, Da:	4.91
IP(EA), eV:	-9.07(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2,4-dichlorophenyl)triazol-4-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SCC2=C(N=NN2C3=C(C=C(C=C3)Cl)Cl)C(=O)O

DOS

IR

Vibrations