Geometry & MOs

Info

ID:	35601
PubChem CID:	7980087
Reduced:	NO4C19H21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	315.092915
ΔH_f, kcal/mol:	-127.38
Dipole, Da:	4.88
IP(EA), eV:	-9.06(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[(2-phenylsulfanylacetyl)amino]acetate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OCC(=O)NCC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations