Geometry & MOs

Info

ID:	268823
PubChem CID:	103601118
Reduced:	O3C18H20 (1)
Stoich.:	A3B18C20 (1)
Weight, g/mol:	300.118401
ΔH_f, kcal/mol:	-94.98
Dipole, Da:	1.56
IP(EA), eV:	-8.82(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2,5-dimethylphenyl)sulfanyl-2-phenylacetate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC=CC=C1)OC2=CC=CC(=C2C)C

DOS

IR

Vibrations