Geometry & MOs

Info

ID:	42779
PubChem CID:	8149993
Reduced:	OS2N3H19C20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	381.096955
ΔH_f, kcal/mol:	33.84
Dipole, Da:	3.46
IP(EA), eV:	-8.66(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-(3-ethylanilino)ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)N[C@@H](C)C2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

DOS

IR

Vibrations