Geometry & MOs

Info

ID:	54291
PubChem CID:	16959452
Reduced:	SN2O6H22C23 (1)
Stoich.:	AB2C6D22E23 (1)
Weight, g/mol:	355.029663
ΔH_f, kcal/mol:	-96.49
Dipole, Da:	6.51
IP(EA), eV:	-8.75(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-[(3-nitrophenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CCCCN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

DOS

IR

Vibrations