Geometry & MOs

Info

ID:	302009
PubChem CID:	123109870
Reduced:	SO6C19H20 (1)
Stoich.:	AB6C19D20 (1)
Weight, g/mol:	359.119129
ΔH_f, kcal/mol:	-193.51
Dipole, Da:	3.32
IP(EA), eV:	-9.11(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-(2,6-dimethylanilino)-2-oxoethyl]sulfinylmethyl]benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)OCCCS(=O)CC2=CC(=CC=C2)C(=O)O

DOS

IR

Vibrations