Geometry & MOs

Info

ID:	209851
PubChem CID:	80731311
Reduced:	S2N3O4C12H19 (1)
Stoich.:	A2B3C4D12E19 (1)
Weight, g/mol:	339.055878
ΔH_f, kcal/mol:	-88.26
Dipole, Da:	3.87
IP(EA), eV:	-9.35(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(ethylamino)-N,N-bis(2-hydroxyethyl)-4-nitrothiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CCCNC1=C(C=C(S1)S(=O)(=O)N2CCC(C2)C)[N+](=O)[O-]

DOS

IR

Vibrations