Geometry & MOs

Info

ID:	342796
PubChem CID:	127265959
Reduced:	NSO4C12H15 (1)
Stoich.:	ABC4D12E15 (1)
Weight, g/mol:	326.08489
ΔH_f, kcal/mol:	-149.78
Dipole, Da:	8.2
IP(EA), eV:	-10.2(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2-fluoro-6-methylphenyl)sulfonyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]methanol

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1S(=O)(=O)N[C@H]2CC(=O)OC2

DOS

IR

Vibrations