Geometry & MOs

Info

ID:	70364
PubChem CID:	48413246
Reduced:	BrSN2O3C17H17 (1)
Stoich.:	ABC2D3E17F17 (1)
Weight, g/mol:	357.01466
ΔH_f, kcal/mol:	-65.69
Dipole, Da:	3.53
IP(EA), eV:	-9.46(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]cyclopropyl]benzene

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NC2(CC2)C3=CC=C(C=C3)Br)C(=O)N

DOS

IR

Vibrations