Geometry & MOs

Info

ID:	138811
PubChem CID:	52429277
Reduced:	NSCl2O4H11C15 (1)
Stoich.:	ABC2D4E11F15 (1)
Weight, g/mol:	370.978584
ΔH_f, kcal/mol:	-57.47
Dipole, Da:	5.47
IP(EA), eV:	-8.74(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dichlorophenyl)sulfanylethyl 3-nitrobenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)OCCSC2=CC(=CC(=C2)Cl)Cl)[N+](=O)[O-]

DOS

IR

Vibrations