Geometry & MOs

Info

ID:	187453
PubChem CID:	77573277
Reduced:	ON6C22H38 (1)
Stoich.:	AB6C22D38 (1)
Weight, g/mol:	463.110101
ΔH_f, kcal/mol:	-11.65
Dipole, Da:	4.96
IP(EA), eV:	-8.99(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4,5-diacetyl-6-[3-(5-fluoropyridin-3-yl)phenoxy]-3,4,5-trihydroxythian-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C)CCC(C1CCNCC1)NC2=NC(=O)C3C(=N2)C(=NN3C)C(C)(C)C

DOS

IR

Vibrations