Geometry & MOs

Info

ID:	278603
PubChem CID:	103836633
Reduced:	NSO3C14H23 (1)
Stoich.:	ABC3D14E23 (1)
Weight, g/mol:	321.070465
ΔH_f, kcal/mol:	-140.7
Dipole, Da:	5.96
IP(EA), eV:	-9.49(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(4-hydroxy-2,2-dimethylbutyl)sulfamoyl]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)NCC(C)(C)CCO

DOS

IR

Vibrations