Geometry & MOs

Info

ID:	383047
PubChem CID:	134974545
Reduced:	NSO2C10H17 (1)
Stoich.:	ABC2D10E17 (1)
Weight, g/mol:	369.19738
ΔH_f, kcal/mol:	-91.11
Dipole, Da:	4.41
IP(EA), eV:	-8.66(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-methylsulfanyl-4-pyrrolidin-1-yl-2-[1-(2,2,5-trimethyl-1,3-dioxan-4-yl)ethyl]-2,3-dihydropyran-6-one

Drug info:

PubChemData

Smile

COC(=O)/C=C(\CSC)/N1CCCC1

DOS

IR

Vibrations