Geometry & MOs

Info

ID:	217825
PubChem CID:	85088439
Reduced:	NO2H11C12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	402.11371
ΔH_f, kcal/mol:	-84.12
Dipole, Da:	3.63
IP(EA), eV:	-8.08(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-9-(3,4,5-trimethoxyphenyl)-3,3a,9,9a-tetrahydrothiochromeno[3,2-b]furan-2-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=C1C4=C(C(C3C(=O)OC)C(=O)OC)C5=CC=CC=C5N4C

DOS

IR

Vibrations