Geometry & MOs

Info

ID:	149037
PubChem CID:	53788708
Reduced:	S4O8C31H34 (1)
Stoich.:	A4B8C31D34 (1)
Weight, g/mol:	386.151809
ΔH_f, kcal/mol:	-279.59
Dipole, Da:	5.15
IP(EA), eV:	-8.4(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-oxo-5-phenyl-6-(3-phenylmethoxyphenyl)hex-2-enoic acid

Drug info:

PubChemData

Smile

CC1(O[C@H]([C@@H](O1)[C@H](CSC2=CC3=CC=CC=C3C=C2)OS(=O)(=O)C)[C@H](CSC4=CC5=CC=CC=C5C=C4)OS(=O)(=O)C)C

DOS

IR

Vibrations