Geometry & MOs

Info

ID:	134386
PubChem CID:	51688741
Reduced:	SN3O4C16H17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	341.101171
ΔH_f, kcal/mol:	-99.51
Dipole, Da:	6.21
IP(EA), eV:	-8.35(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R)-8-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-11-oxa-2,5,6-triazatricyclo[7.3.0.03,7]dodeca-1(9),3,6-trien-10-one

Drug info:

PubChemData

Smile

CCNC1=NC2=C(S1)[C@@H](CC(=O)N2)C3=CC4=C(C(=C3)OC)OCO4

DOS

IR

Vibrations