Geometry & MOs

Info

ID:	44273
PubChem CID:	10502330
Reduced:	SN2F3O3H17C20 (1)
Stoich.:	AB2C3D3E17F20 (1)
Weight, g/mol:	422.248851
ΔH_f, kcal/mol:	-166.84
Dipole, Da:	3.49
IP(EA), eV:	-8.86(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[2-[(2S)-2-hydroxy-3-(4-methoxyphenyl)propoxy]ethoxy]-5-triethylsilylpent-4-yn-2-ol

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=C(C=C2)SC(F)(F)F)CCOC3=CC=C(C=C3)/C=N/O

DOS

IR

Vibrations