Geometry & MOs

Info

ID:	51171
PubChem CID:	12013805
Reduced:	OC10H11 (2)
Stoich.:	AB10C11 (2)
Weight, g/mol:	352.124549
ΔH_f, kcal/mol:	-62.03
Dipole, Da:	3.25
IP(EA), eV:	-9.74(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13,14-dimethylspiro[12-thia-10,17-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),3,5,7,11(15),13-hexaene-2,4'-oxane]-16-one

Drug info:

PubChemData

Smile

C1CC(=O)C2=C1[C@@H]3[C@H](C2)C[C@H]4[C@@H]3C[C@@H]5[C@H]4C6=C(C5)C(=O)CC6

DOS

IR

Vibrations