Geometry & MOs

Info

ID:	338879
PubChem CID:	127259890
Reduced:	NO3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	348.118401
ΔH_f, kcal/mol:	-67.98
Dipole, Da:	2.56
IP(EA), eV:	-8.65(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-(2-phenylsulfanylethyl)benzoate

Drug info:

PubChemData

Smile

COC1=CC(=O)/C(=C\NC2=CC=CC=C2CO)/C=C1

DOS

IR

Vibrations