Geometry & MOs

Info

ID:	289570
PubChem CID:	104359503
Reduced:	BrSCl2O2N3H10C11 (1)
Stoich.:	ABC2D2E3F10G11 (1)
Weight, g/mol:	394.88977
ΔH_f, kcal/mol:	-20.17
Dipole, Da:	8.88
IP(EA), eV:	-10.21(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations