Geometry & MOs

Info

ID:	289568
PubChem CID:	104359501
Reduced:	BrSCl2O2N3H4C8 (1)
Stoich.:	ABC2D2E3F4G8 (1)
Weight, g/mol:	412.90033
ΔH_f, kcal/mol:	0.92
Dipole, Da:	2.4
IP(EA), eV:	-9.87(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Br)Cl)C2=NNC(=N2)S(=O)(=O)Cl

DOS

IR

Vibrations