Geometry & MOs

Info

ID:	189086
PubChem CID:	77814716
Reduced:	S2O3N6H30C33 (1)
Stoich.:	A2B3C6D30E33 (1)
Weight, g/mol:	302.108899
ΔH_f, kcal/mol:	39.45
Dipole, Da:	5.83
IP(EA), eV:	-8.61(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-ethoxyethenyl)-6-phenyl-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CSC1=C(C=CC(=C1)CNC(=O)C2=CC=CN3C2=NC(=C3C(=O)NC(CC4=CNC5=CC=CC=C54)CO)C6=CSC=C6)N=C

DOS

IR

Vibrations