Geometry & MOs

Info

ID:	396249
PubChem CID:	135027868
Reduced:	SCl2N2C20H20 (1)
Stoich.:	AB2C2D20E20 (1)
Weight, g/mol:	318.125594
ΔH_f, kcal/mol:	53.45
Dipole, Da:	4.17
IP(EA), eV:	-8.06(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-phenylmethoxyphenyl)phenyl] acetate

Drug info:

PubChemData

Smile

CN(C)C1=C(SC(=C1C2=CC=C(C=C2)Cl)N(C)C)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations