Geometry & MOs

Info

ID:	176227
PubChem CID:	76013489
Reduced:	FSO2N3H14C20 (1)
Stoich.:	ABC2D3E14F20 (1)
Weight, g/mol:	400.064841
ΔH_f, kcal/mol:	-12.99
Dipole, Da:	7.63
IP(EA), eV:	-9.38(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-4a,7a-dihydrothieno[3,2-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C#N)CN2C3C=CSC3C(=O)N(C2=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations