Geometry & MOs

Info

ID:	42087
PubChem CID:	8149166
Reduced:	ClOS2N3H14C18 (1)
Stoich.:	ABC2D3E14F18 (1)
Weight, g/mol:	387.026682
ΔH_f, kcal/mol:	39.76
Dipole, Da:	2.51
IP(EA), eV:	-8.82(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-(4-chloroanilino)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=CC=C(C=C4)Cl

DOS

IR

Vibrations