Geometry & MOs

Info

ID:	158667
PubChem CID:	56464551
Reduced:	ClSN3O3C19H24 (1)
Stoich.:	ABC3D3E19F24 (1)
Weight, g/mol:	411.08103
ΔH_f, kcal/mol:	-94.62
Dipole, Da:	7.59
IP(EA), eV:	-9.43(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-(2-ethylsulfonylethylcarbamoyl)phenyl]sulfanylmethyl]furan-3-carboxylate

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1=NN(C2=C1CCCCC2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations