Geometry & MOs

Info

ID:	209839
PubChem CID:	80730441
Reduced:	ON2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	336.056212
ΔH_f, kcal/mol:	-40.4
Dipole, Da:	1.9
IP(EA), eV:	-7.82(1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]butanamide

Drug info:

PubChemData

Smile

CCC1CCCN1C2=CC(=CC(=C2)N)OC

DOS

IR

Vibrations