Geometry & MOs

Info

ID:	42080
PubChem CID:	8149157
Reduced:	OS2N3H17C22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	403.081305
ΔH_f, kcal/mol:	65.02
Dipole, Da:	3.67
IP(EA), eV:	-8.67(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-(naphthalen-2-ylamino)ethyl]-5-thiophen-2-yl-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=CC=CC=C5C=C4

DOS

IR

Vibrations