Geometry & MOs

Info

ID:	40580
PubChem CID:	8144370
Reduced:	ClSO2N4C18H23 (1)
Stoich.:	ABC2D4E18F23 (1)
Weight, g/mol:	409.190952
ΔH_f, kcal/mol:	-19.56
Dipole, Da:	3.82
IP(EA), eV:	-8.09(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(tert-butylamino)-2-oxoethyl]-[(1R)-1-(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-methylazanium

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)CN2C(=NN(C2=S)CN3CCOCC3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations