Geometry & MOs

Info

ID:	221443
PubChem CID:	85273706
Reduced:	SO6C13H24 (1)
Stoich.:	AB6C13D24 (1)
Weight, g/mol:	308.119464
ΔH_f, kcal/mol:	-273.3
Dipole, Da:	2.97
IP(EA), eV:	-9.1(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-(4-methylphenyl)sulfonylspiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c][1,2]oxazole-3,1'-cyclopropane]

Drug info:

PubChemData

Smile

CCSC1C(C2C(CO1)OC(C(O2)(C)OC)(C)OC)O

DOS

IR

Vibrations