Geometry & MOs

Info

ID:	208118
PubChem CID:	80496787
Reduced:	N6C11H16 (1)
Stoich.:	A6B11C16 (1)
Weight, g/mol:	321.973895
ΔH_f, kcal/mol:	78.03
Dipole, Da:	4.29
IP(EA), eV:	-8.85(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-difluoro-4-(2H-triazole-4-carbonylamino)benzenesulfonyl chloride

Drug info:

PubChemData

Smile

CCC1=C(C(=NC(=N1)C2=NNN=C2)NCC)C

DOS

IR

Vibrations