Geometry & MOs

Info

ID:	289569
PubChem CID:	104359502
Reduced:	BrSCl2N3O3H10C11 (1)
Stoich.:	ABC2D3E3F10G11 (1)
Weight, g/mol:	396.90542
ΔH_f, kcal/mol:	-48.14
Dipole, Da:	8.07
IP(EA), eV:	-10.15(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCN1C(=NN=C1S(=O)(=O)Cl)C2=C(C(=CC=C2)Br)Cl

DOS

IR

Vibrations