Geometry & MOs

Info

ID:	33539
PubChem CID:	7886902
Reduced:	NO6C20H21 (1)
Stoich.:	AB6C20D21 (1)
Weight, g/mol:	348.114378
ΔH_f, kcal/mol:	-204.14
Dipole, Da:	3.47
IP(EA), eV:	-9.32(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-benzylsulfanylethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

C1CCC(=CC1)N(CC2=CC=CO2)C(=O)COC(=O)C3=C(C=C(C=C3)O)O

DOS

IR

Vibrations