Geometry & MOs

Info

ID:	33491
PubChem CID:	7886720
Reduced:	NO5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	359.119129
ΔH_f, kcal/mol:	-158.91
Dipole, Da:	1.44
IP(EA), eV:	-9.19(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-benzylsulfanylethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)OCC(=O)N(CC2=CC=CO2)C3=CCCCC3)O

DOS

IR

Vibrations