Geometry & MOs

Info

ID:	35837
PubChem CID:	7980388
Reduced:	N2O4H22C23 (1)
Stoich.:	A2B4C22D23 (1)
Weight, g/mol:	333.083493
ΔH_f, kcal/mol:	-110.73
Dipole, Da:	2.86
IP(EA), eV:	-8.94(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)CNC(=O)CNC(=O)CC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations