Geometry & MOs

Info

ID:	42082
PubChem CID:	8149159
Reduced:	SN4O5C14H14 (1)
Stoich.:	AB4C5D14E14 (1)
Weight, g/mol:	411.140533
ΔH_f, kcal/mol:	-71.37
Dipole, Da:	6.33
IP(EA), eV:	-8.52(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-5-(4-methylphenyl)-2-[(naphthalen-2-ylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SCCNC(=O)COC2=C(C(=O)NC=N2)[N+](=O)[O-]

DOS

IR

Vibrations