Geometry & MOs

Info

ID:	37932
PubChem CID:	8025602
Reduced:	SN2O5H18C19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	386.093643
ΔH_f, kcal/mol:	-137.04
Dipole, Da:	3.95
IP(EA), eV:	-8.59(-1.03)
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 2,3-dimethoxybenzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)OCC2=NC3=C(C4=C(S3)CCC4)C(=O)N2)OC

DOS

IR

Vibrations