Geometry & MOs

Info

ID:	377761
PubChem CID:	134223826
Reduced:	ClNO6C23H26 (1)
Stoich.:	ABC6D23E26 (1)
Weight, g/mol:	174.033723
ΔH_f, kcal/mol:	-214.52
Dipole, Da:	16.08
IP(EA), eV:	-9.41(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2,5-dimethyltriazol-4-yl)methanesulfinate

Drug info:

PubChemData

Smile

CC(C)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)Cl)OCC4(COC4)COC

DOS

IR

Vibrations