Geometry & MOs

Info

ID:	175385
PubChem CID:	75896207
Reduced:	SCl2N2O3C17H24 (1)
Stoich.:	AB2C2D3E17F24 (1)
Weight, g/mol:	453.235794
ΔH_f, kcal/mol:	-141.78
Dipole, Da:	2.71
IP(EA), eV:	-9.17(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[2-[(5,6-dimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoyl-(2-methylpropyl)amino]ethyl-diethylazanium

Drug info:

PubChemData

Smile

CCCN(CC(=O)NC1CCS(=O)(=O)C1)C(C)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations