Geometry & MOs

Info

ID:	20935
PubChem CID:	586324
Reduced:	NSO2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	225.08235
ΔH_f, kcal/mol:	-75.85
Dipole, Da:	2.76
IP(EA), eV:	-8.46(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfanylethyl 4-aminobenzoate

Drug info:

PubChemData

Smile

CCSCCOC(=O)C1=CC=C(C=C1)N

DOS

IR

Vibrations