Geometry & MOs

Info

ID:	383401
PubChem CID:	134975100
Reduced:	S2O9C16H24 (1)
Stoich.:	A2B9C16D24 (1)
Weight, g/mol:	240.126263
ΔH_f, kcal/mol:	-416.47
Dipole, Da:	4.03
IP(EA), eV:	-8.94(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,10R,15S)-11,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6,8-tetraen-16-one

Drug info:

PubChemData

Smile

CCSS[C@H]1C(C([C@@H](C(O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations