Geometry & MOs

Info

ID:	62040
PubChem CID:	26717183
Reduced:	NO4C22H23 (1)
Stoich.:	AB4C22D23 (1)
Weight, g/mol:	431.093977
ΔH_f, kcal/mol:	-95.42
Dipole, Da:	2.47
IP(EA), eV:	-8.32(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=CC2=CC=CC=C2C=C1)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations