Geometry & MOs

Info

ID:	44812
PubChem CID:	10506024
Reduced:	SN2F3O4H23C26 (1)
Stoich.:	AB2C3D4E23F26 (1)
Weight, g/mol:	516.272318
ΔH_f, kcal/mol:	-192.19
Dipole, Da:	4.75
IP(EA), eV:	-8.83(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2S)-6,6-diethoxy-2-(2-methoxyethoxymethoxy)-2-(5-methoxy-4-methyl-2-phenylmethoxyphenyl)hex-4-en-3-one

Drug info:

PubChemData

Smile

C1CC(=C(C2=C1C=C(C=C2)OS(=O)(=O)C(F)(F)F)C3=CC=C(C=C3)OCCN4CC4)C5=CC=CC=N5

DOS

IR

Vibrations