Geometry & MOs

Info

ID:	42068
PubChem CID:	8149144
Reduced:	ClSN3O3C19H20 (1)
Stoich.:	ABC3D3E19F20 (1)
Weight, g/mol:	401.042332
ΔH_f, kcal/mol:	-107.69
Dipole, Da:	5.09
IP(EA), eV:	-9.04(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@H](C)NC3=CC(=C(C=C3)C)Cl)C

DOS

IR

Vibrations