Geometry & MOs

Info

ID:	60926
PubChem CID:	26703257
Reduced:	NO5C22H23 (1)
Stoich.:	AB5C22D23 (1)
Weight, g/mol:	393.114713
ΔH_f, kcal/mol:	-125.28
Dipole, Da:	5.63
IP(EA), eV:	-8.36(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCC1=C(C2=CC=CC=C2O1)/C=C/C(=O)NC3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations