Geometry & MOs

Info

ID:	270088
PubChem CID:	103626706
Reduced:	SN3C11H23 (1)
Stoich.:	AB3C11D23 (1)
Weight, g/mol:	381.96566
ΔH_f, kcal/mol:	-19.9
Dipole, Da:	6.25
IP(EA), eV:	-8.35(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-[(1-methylpyrrolidin-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCNC(=S)NCC1CCCN1C

DOS

IR

Vibrations