Geometry & MOs

Info

ID:	42879
PubChem CID:	8150131
Reduced:	OS2N3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	373.037726
ΔH_f, kcal/mol:	0.59
Dipole, Da:	0.79
IP(EA), eV:	-8.67(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@H](C)NCC4=CC=CS4

DOS

IR

Vibrations