Geometry & MOs

Info

ID:	290807
PubChem CID:	111123369
Reduced:	SN2O3C15H32 (1)
Stoich.:	AB2C3D15E32 (1)
Weight, g/mol:	231.104148
ΔH_f, kcal/mol:	-168.48
Dipole, Da:	4.67
IP(EA), eV:	-8.77(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]ethanol

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC(CN(C)C(C)C(C)S(=O)(=O)C)O

DOS

IR

Vibrations