Geometry & MOs

Info

ID:	209886
PubChem CID:	80735208
Reduced:	ClSN4H7C9 (1)
Stoich.:	ABC4D7E9 (1)
Weight, g/mol:	355.990356
ΔH_f, kcal/mol:	72.66
Dipole, Da:	3.07
IP(EA), eV:	-9.0(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(5-chloro-4-nitrothiophen-2-yl)sulfonyl-ethylamino]acetate

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)SC2=CC(=NC(=N2)N)Cl

DOS

IR

Vibrations