Geometry & MOs

Info

ID:	16315
PubChem CID:	464223
Reduced:	NSO5C30H33 (1)
Stoich.:	ABC5D30E33 (1)
Weight, g/mol:	519.207944
ΔH_f, kcal/mol:	-91.14
Dipole, Da:	1.32
IP(EA), eV:	-9.09(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[cyclopropyl-[3-(pyridin-2-ylsulfonylmethyl)phenyl]methyl]-6-(1,3-dicyclopropylpropan-2-yl)-2-hydroxypyran-4-one

Drug info:

PubChemData

Smile

C1CC1CC(CC2CC2)C3=CC(=O)C(=C(O3)O)C(C4CC4)C5=CC=CC(=C5)CS(=O)(=O)C6=CC=CC=N6

DOS

IR

Vibrations