Geometry & MOs

Info

ID:	172592
PubChem CID:	75527592
Reduced:	NSO6C18H19 (1)
Stoich.:	ABC6D18E19 (1)
Weight, g/mol:	362.145285
ΔH_f, kcal/mol:	-186.97
Dipole, Da:	5.0
IP(EA), eV:	-8.59(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-7-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-1,2-dihydrothieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)N/C=C(/C(=O)OC)\S(=O)(=O)C2=CC=CC=C2)OC

DOS

IR

Vibrations