Geometry & MOs

Info

ID:	283916
PubChem CID:	104020335
Reduced:	ClSO2N3C14H18 (1)
Stoich.:	ABC2D3E14F18 (1)
Weight, g/mol:	394.95062
ΔH_f, kcal/mol:	-42.23
Dipole, Da:	9.31
IP(EA), eV:	-9.82(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-bromo-4-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonyl chloride

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C2=NN=C(N2CC(C)C)S(=O)(=O)Cl)C

DOS

IR

Vibrations