Geometry & MOs

Info

ID:	284651
PubChem CID:	104057044
Reduced:	ClN2S2O3C13H17 (1)
Stoich.:	AB2C2D3E13F17 (1)
Weight, g/mol:	349.032161
ΔH_f, kcal/mol:	-96.0
Dipole, Da:	3.65
IP(EA), eV:	-9.09(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-carbamothioyl-2-chlorophenyl)sulfonyl-ethylamino]-N-methylacetamide

Drug info:

PubChemData

Smile

CC1(COCCN1S(=O)(=O)C2=C(C=C(C=C2)C(=S)N)Cl)C

DOS

IR

Vibrations