Geometry & MOs

Info

ID:	338343
PubChem CID:	127259035
Reduced:	NSO4H11C14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	244.055801
ΔH_f, kcal/mol:	-41.72
Dipole, Da:	6.51
IP(EA), eV:	-8.96(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-phenylsulfanylphenyl) acetate

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1)[N+](=O)[O-])SC2=CC=CC=C2

DOS

IR

Vibrations