Geometry & MOs

Info

ID:	69686
PubChem CID:	47205175
Reduced:	ClSN3O4C11H14 (1)
Stoich.:	ABC3D4E11F14 (1)
Weight, g/mol:	304.045253
ΔH_f, kcal/mol:	-160.77
Dipole, Da:	5.71
IP(EA), eV:	-9.63(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1NC(=O)CNC(=O)C2=CC(=CN2)Cl

DOS

IR

Vibrations