Geometry & MOs

Info

ID:	283901
PubChem CID:	104019076
Reduced:	ClISO2N3C12H13 (1)
Stoich.:	ABCD2E3F12G13 (1)
Weight, g/mol:	273.015032
ΔH_f, kcal/mol:	-6.12
Dipole, Da:	8.31
IP(EA), eV:	-9.96(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-5-(difluoromethyl)-1,2,4-triazole-3-sulfonyl chloride

Drug info:

PubChemData

Smile

CC(C)(C)N1C(=NN=C1S(=O)(=O)Cl)C2=CC(=CC=C2)I

DOS

IR

Vibrations