Geometry & MOs

Info

ID:	37930
PubChem CID:	8025599
Reduced:	N2O3C20H24 (1)
Stoich.:	A2B3C20D24 (1)
Weight, g/mol:	406.098728
ΔH_f, kcal/mol:	-74.56
Dipole, Da:	2.9
IP(EA), eV:	-8.83(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methyl 3-methoxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CN(C)CC(=O)NCC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations