Geometry & MOs

Info

ID:	195817
PubChem CID:	78734746
Reduced:	OSN4C19H20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	402.124943
ΔH_f, kcal/mol:	64.0
Dipole, Da:	8.8
IP(EA), eV:	-8.6(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(5,6-dimethyl-4-oxo-4a,7a-dihydro-1H-thieno[2,3-d]pyrimidin-2-ylidene)-3-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)propanoate

Drug info:

PubChemData

Smile

CCN(CC1=NC(=O)C2C=CC=CC2=N1)C(=S)NCC3=CC=CC=C3

DOS

IR

Vibrations