Geometry & MOs

Info

ID:	264405
PubChem CID:	103459505
Reduced:	SO2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	-39.59
Dipole, Da:	2.77
IP(EA), eV:	-9.19(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propane-1,2-diol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(C2=CSC=C2)O)O

DOS

IR

Vibrations