Geometry & MOs

Info

ID:	35873
PubChem CID:	7980431
Reduced:	NO4H19C22 (1)
Stoich.:	AB4C19D22 (1)
Weight, g/mol:	399.069592
ΔH_f, kcal/mol:	-84.37
Dipole, Da:	2.97
IP(EA), eV:	-9.13(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)CNC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3

DOS

IR

Vibrations