Geometry & MOs

Info

ID:	284652
PubChem CID:	104057058
Reduced:	ClS2N3O3C12H16 (1)
Stoich.:	AB2C3D3E12F16 (1)
Weight, g/mol:	350.016177
ΔH_f, kcal/mol:	-94.86
Dipole, Da:	5.88
IP(EA), eV:	-9.14(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(4-carbamothioyl-3-chlorophenyl)sulfonyl-methylamino]acetate

Drug info:

PubChemData

Smile

CCN(CC(=O)NC)S(=O)(=O)C1=C(C=C(C=C1)C(=S)N)Cl

DOS

IR

Vibrations