Geometry & MOs

Info

ID:	164649
PubChem CID:	74431281
Reduced:	NSO3C23H35 (1)
Stoich.:	ABC3D23E35 (1)
Weight, g/mol:	441.218509
ΔH_f, kcal/mol:	-129.89
Dipole, Da:	8.84
IP(EA), eV:	-9.33(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)-2-hydroxy-2-[5-(1-hydroxy-4-methylpent-3-enyl)oxolan-2-yl]ethanone

Drug info:

PubChemData

Smile

CC(=CCCC=CCCC=CC(=O)N1C2CC3CCC2(C3(C)C)CS1(=O)=O)C

DOS

IR

Vibrations