Geometry & MOs

Info

ID:	284755
PubChem CID:	104068749
Reduced:	SN2O3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	235.077933
ΔH_f, kcal/mol:	-129.92
Dipole, Da:	1.49
IP(EA), eV:	-9.34(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methanol

Drug info:

PubChemData

Smile

CCNC(=O)NC(=O)C(C)SC1=CC=C(C=C1)CO

DOS

IR

Vibrations