Geometry & MOs

Info

ID:	392903
PubChem CID:	135018390
Reduced:	IN2H13C22 (1)
Stoich.:	AB2C13D22 (1)
Weight, g/mol:	394.198707
ΔH_f, kcal/mol:	148.85
Dipole, Da:	4.89
IP(EA), eV:	-9.26(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxyheptyl]-3,3-difluoro-2H-pyran-6-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC3=C2C=C(C=C3)I)C4=CC=C(C=C4)C#N

DOS

IR

Vibrations