Geometry & MOs

Info

ID:	289573
PubChem CID:	104359507
Reduced:	BrSCl2O2N3H10C11 (1)
Stoich.:	ABC2D2E3F10G11 (1)
Weight, g/mol:	391.97094
ΔH_f, kcal/mol:	-17.11
Dipole, Da:	8.48
IP(EA), eV:	-10.23(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-bromo-2-chlorophenyl)-4-tert-butyl-1,2,4-triazole-3-sulfonamide

Drug info:

PubChemData

Smile

CCCN1C(=NN=C1S(=O)(=O)Cl)C2=C(C(=CC=C2)Br)Cl

DOS

IR

Vibrations