Geometry & MOs

Info

ID:	45734
PubChem CID:	10517177
Reduced:	SN2O2H12C15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	284.141245
ΔH_f, kcal/mol:	-6.77
Dipole, Da:	5.36
IP(EA), eV:	-9.2(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,1S,2S)-5-(4-methoxyphenyl)-1-phenylpent-4-ene-1,2-diol

Drug info:

PubChemData

Smile

C1C2C3=CC=CC=C3C(=O)N2CC4=C(C(=O)N1)SC=C4

DOS

IR

Vibrations