Geometry & MOs

Info

ID:	343692
PubChem CID:	127266868
Reduced:	S2N3O3C14H17 (1)
Stoich.:	A2B3C3D14E17 (1)
Weight, g/mol:	338.075885
ΔH_f, kcal/mol:	-75.69
Dipole, Da:	1.43
IP(EA), eV:	-9.42(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-acetylpyrrolidin-3-yl)methyl]-1-benzothiophene-3-sulfonamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)CNS(=O)(=O)C2=CC3=C(C=CS3)N=C2

DOS

IR

Vibrations