Geometry & MOs

Info

ID:	191639
PubChem CID:	78172217
Reduced:	FO4C23H29 (1)
Stoich.:	AB4C23D29 (1)
Weight, g/mol:	308.098334
ΔH_f, kcal/mol:	-171.45
Dipole, Da:	7.86
IP(EA), eV:	-8.65(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-diphenyl-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)CCC34C)F)C)OC(=O)C

DOS

IR

Vibrations