Geometry & MOs

Info

ID:	165589
PubChem CID:	74572814
Reduced:	FOSN3H14C18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	300.093249
ΔH_f, kcal/mol:	8.69
Dipole, Da:	1.73
IP(EA), eV:	-8.56(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methoxyphenyl)-2-propan-2-yl-4aH-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)C=CC2=CC=C(C=C2)F)C3=CSC(=N3)N

DOS

IR

Vibrations