Geometry & MOs

Info

ID:	268835
PubChem CID:	103601177
Reduced:	O3C18H20 (1)
Stoich.:	A3B18C20 (1)
Weight, g/mol:	300.118401
ΔH_f, kcal/mol:	-95.22
Dipole, Da:	6.07
IP(EA), eV:	-8.91(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2-methylphenyl)methylsulfanyl]-2-phenylacetate

Drug info:

PubChemData

Smile

CCC(C)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)O

DOS

IR

Vibrations