Geometry & MOs

Info

ID:	245673
PubChem CID:	100053935
Reduced:	ClSN3O3C12H14 (1)
Stoich.:	ABC3D3E12F14 (1)
Weight, g/mol:	227.163377
ΔH_f, kcal/mol:	-40.15
Dipole, Da:	3.28
IP(EA), eV:	-9.83(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol

Drug info:

PubChemData

Smile

C[C@H](C1=NC(=NO1)CCOC)NC(=O)C2=CC=C(S2)Cl

DOS

IR

Vibrations