Geometry & MOs

Info

ID:	42843
PubChem CID:	8150087
Reduced:	OS2N3H19C21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	401.156184
ΔH_f, kcal/mol:	36.81
Dipole, Da:	4.84
IP(EA), eV:	-8.63(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)NC4=CC5=C(CCC5)C=C4

DOS

IR

Vibrations