Geometry & MOs

Info

ID:	146907
PubChem CID:	53769807
Reduced:	NSO3H7C9 (1)
Stoich.:	ABC3D7E9 (1)
Weight, g/mol:	268.14633
ΔH_f, kcal/mol:	-61.98
Dipole, Da:	5.61
IP(EA), eV:	-9.46(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1-phenylethyl)phenyl]ethyl acetate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=CC(S2=O)C(=O)O

DOS

IR

Vibrations