Geometry & MOs

Info

ID:	278593
PubChem CID:	103836616
Reduced:	SN2O5C13H20 (1)
Stoich.:	AB2C5D13E20 (1)
Weight, g/mol:	398.98098
ΔH_f, kcal/mol:	-130.83
Dipole, Da:	8.21
IP(EA), eV:	-9.92(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-bromo-4-[(4-hydroxy-2,2-dimethylbutyl)sulfamoyl]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)[N+](=O)[O-])S(=O)(=O)NCC(C)(C)CCO

DOS

IR

Vibrations