Geometry & MOs

Info

ID:	267014
PubChem CID:	103580456
Reduced:	BrSN2O4C13H13 (1)
Stoich.:	ABC2D4E13F13 (1)
Weight, g/mol:	306.00376
ΔH_f, kcal/mol:	-126.68
Dipole, Da:	2.65
IP(EA), eV:	-9.5(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-(dimethylsulfamoylamino)-1,3-dimethylbenzene

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NS(=O)(=O)C2=CNC(=C2)C(=O)O

DOS

IR

Vibrations