Geometry & MOs

Info

ID:	60932
PubChem CID:	26703331
Reduced:	N2O3H20C21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	473.140927
ΔH_f, kcal/mol:	-43.77
Dipole, Da:	12.18
IP(EA), eV:	-8.52(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)C[C@H](O2)C)/C=C/C(=O)NC3=CC=C(C=C3)C#N

DOS

IR

Vibrations