Geometry & MOs

Info

ID:	399900
PubChem CID:	135043626
Reduced:	SO8H34C38 (1)
Stoich.:	AB8C34D38 (1)
Weight, g/mol:	192.11503
ΔH_f, kcal/mol:	-201.3
Dipole, Da:	9.03
IP(EA), eV:	-8.43(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-ethoxy-1-phenylbutan-1-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3=C(C=C4CCC5=C(C4=C3)C(=C(C=C5)OC)OC6=CC7C(C(C6C(=O)O7)CC2)S(=O)(=O)C8=CC=CC=C8)OC

DOS

IR

Vibrations