Geometry & MOs

Info

ID:	165839
PubChem CID:	74604051
Reduced:	SO4N5C20H23 (1)
Stoich.:	AB4C5D20E23 (1)
Weight, g/mol:	407.17012
ΔH_f, kcal/mol:	-117.52
Dipole, Da:	4.97
IP(EA), eV:	-8.92(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[(5,6-dimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-ethylpropanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)CSC3=NC(=CC(=N3)N)C

DOS

IR

Vibrations