Geometry & MOs

Info

ID:	28037
PubChem CID:	825230
Reduced:	O2S3H14C15 (1)
Stoich.:	A2B3C14D15 (1)
Weight, g/mol:	260.007805
ΔH_f, kcal/mol:	-3.92
Dipole, Da:	3.23
IP(EA), eV:	-8.44(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9R)-17-oxa-8,16-dithia-6,14-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene

Drug info:

PubChemData

Smile

C[C@H](C(=CC(=O)C1=CC=CS1)SC)C(=O)C2=CC=CS2

DOS

IR

Vibrations