Geometry & MOs

Info

ID:	289571
PubChem CID:	104359504
Reduced:	BrSCl2O2N3H8C11 (1)
Stoich.:	ABC2D2E3F8G11 (1)
Weight, g/mol:	382.88977
ΔH_f, kcal/mol:	16.76
Dipole, Da:	8.16
IP(EA), eV:	-10.22(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-bromo-2-chlorophenyl)-4-ethyl-1,2,4-triazole-3-sulfonyl chloride

Drug info:

PubChemData

Smile

C1CC1N2C(=NN=C2S(=O)(=O)Cl)C3=C(C(=CC=C3)Br)Cl

DOS

IR

Vibrations