Geometry & MOs

Info

ID:	338512
PubChem CID:	127259204
Reduced:	NSO4C11H15 (1)
Stoich.:	ABC4D11E15 (1)
Weight, g/mol:	272.087101
ΔH_f, kcal/mol:	-151.92
Dipole, Da:	4.01
IP(EA), eV:	-9.08(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[benzylsulfanyl(phenyl)methyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OCCS(=O)(=O)N(C)C1=CC=CC=C1

DOS

IR

Vibrations