Geometry & MOs

Info

ID:	70372
PubChem CID:	48413254
Reduced:	BrSN2O2C16H17 (1)
Stoich.:	ABC2D2E16F17 (1)
Weight, g/mol:	402.97569
ΔH_f, kcal/mol:	-8.38
Dipole, Da:	6.57
IP(EA), eV:	-9.49(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-bromophenyl)cyclopropyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide

Drug info:

PubChemData

Smile

C1CC1(C2=CC=C(C=C2)Br)NS(=O)(=O)CCC3=CC=CC=N3

DOS

IR

Vibrations