Geometry & MOs

Info

ID:	175210
PubChem CID:	75866903
Reduced:	SO3N5C23H35 (1)
Stoich.:	AB3C5D23E35 (1)
Weight, g/mol:	340.104563
ΔH_f, kcal/mol:	-108.64
Dipole, Da:	5.23
IP(EA), eV:	-9.02(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-5-(4-methylphenyl)-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OCC2=NN=C(N2CC(C)C)SC(C)C(=O)NC(=O)NCC(C)C

DOS

IR

Vibrations