Geometry & MOs

Info

ID:	212102
PubChem CID:	81059501
Reduced:	ON2C16H28 (1)
Stoich.:	AB2C16D28 (1)
Weight, g/mol:	384.96533
ΔH_f, kcal/mol:	-37.08
Dipole, Da:	1.61
IP(EA), eV:	-8.68(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-[methyl(2-propan-2-yloxyethyl)sulfamoyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(CC1=CC=CC=C1)(CN)N(C)CCOCC

DOS

IR

Vibrations