Geometry & MOs

Info

ID:	187455
PubChem CID:	77574039
Reduced:	FSCl2N4O6C25H33 (1)
Stoich.:	ABC2D4E6F25G33 (1)
Weight, g/mol:	451.075944
ΔH_f, kcal/mol:	-288.88
Dipole, Da:	8.01
IP(EA), eV:	-9.31(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4,5-diacetyl-3,4,5-trihydroxy-6-(5-thiophen-2-ylpyridin-3-yl)oxythian-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)NC(=O)N(CCCCNS(=O)(=O)C1=C(C=C(C=C1)Cl)Cl)CC(COC)N(C2=CC=C(C=C2)F)C(=O)O

DOS

IR

Vibrations