Geometry & MOs

Info

ID:	342797
PubChem CID:	127265960
Reduced:	FSO3N4C13H15 (1)
Stoich.:	ABC3D4E13F15 (1)
Weight, g/mol:	322.109962
ΔH_f, kcal/mol:	-94.71
Dipole, Da:	4.4
IP(EA), eV:	-10.0(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)F)S(=O)(=O)N2CCN3C(=C(N=N3)CO)C2

DOS

IR

Vibrations