Geometry & MOs

Info

ID:	35924
PubChem CID:	7980507
Reduced:	ClNO6H16C21 (1)
Stoich.:	ABC6D16E21 (1)
Weight, g/mol:	329.108565
ΔH_f, kcal/mol:	-174.92
Dipole, Da:	2.85
IP(EA), eV:	-9.62(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-(3-phenylsulfanylpropanoylamino)acetate

Drug info:

PubChemData

Smile

C1COCCN1C(=O)COC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)Cl

DOS

IR

Vibrations