Geometry & MOs

Info

ID:	41966
PubChem CID:	8147970
Reduced:	OSN4C21H22 (1)
Stoich.:	ABC4D21E22 (1)
Weight, g/mol:	353.083413
ΔH_f, kcal/mol:	38.57
Dipole, Da:	8.6
IP(EA), eV:	-8.31(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,6-dimethyl-4-oxo-1H-thieno[2,3-d]pyrimidin-2-ylidene)-3-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)propanenitrile

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)/C=C(\C#N)/C2=NC3=C(C(=C(S3)C)C)C(=O)N2

DOS

IR

Vibrations