Geometry & MOs

Info

ID:	209713
PubChem CID:	80707257
Reduced:	FNOSC14H20 (1)
Stoich.:	ABCDE14F20 (1)
Weight, g/mol:	263.047696
ΔH_f, kcal/mol:	-88.6
Dipole, Da:	2.49
IP(EA), eV:	-8.62(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1(CCN(CC1)CCSC2=CC=C(C=C2)F)O

DOS

IR

Vibrations