Geometry & MOs

Info

ID:	37931
PubChem CID:	8025600
Reduced:	SN2O4H18C22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	386.093643
ΔH_f, kcal/mol:	-83.51
Dipole, Da:	4.61
IP(EA), eV:	-8.57(-1.23)
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 3,4-dimethoxybenzoate

Drug info:

PubChemData

Smile

COC1=CC2=CC=CC=C2C=C1C(=O)OCC3=NC4=C(C5=C(S4)CCC5)C(=O)N3

DOS

IR

Vibrations