Geometry & MOs

Info

ID:	45911
PubChem CID:	10518997
Reduced:	OSN6H10C14 (1)
Stoich.:	ABC6D10E14 (1)
Weight, g/mol:	310.087495
ΔH_f, kcal/mol:	155.34
Dipole, Da:	3.75
IP(EA), eV:	-9.44(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,4aS,8aS)-1,1-dioxo-4-phenylmethoxy-4,4a,5,7,8,8a-hexahydro-3H-benzo[c]oxathiin-6-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=NN2CC3=NN=C(S3)/N=C/C4=CC=CO4

DOS

IR

Vibrations