Geometry & MOs

Info

ID:	284959
PubChem CID:	104085782
Reduced:	SO2N3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	279.065318
ΔH_f, kcal/mol:	-7.96
Dipole, Da:	3.0
IP(EA), eV:	-9.02(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-hydroxypropan-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboximidamide

Drug info:

PubChemData

Smile

CC(CO)SC1=NC2=CC=CC=C2C=C1/C(=N/O)/N

DOS

IR

Vibrations