Geometry & MOs

Info

ID:	404595
PubChem CID:	135067304
Reduced:	OS2H13C18 (2)
Stoich.:	AB2C13D18 (2)
Weight, g/mol:	353.126323
ΔH_f, kcal/mol:	85.09
Dipole, Da:	5.3
IP(EA), eV:	-8.76(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 10-phenyl-9-oxa-10-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-11,11-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C(=CS2)C(=O)C3=CC=CC=C3)CSSCC4=C(SC=C4C(=O)C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations