Geometry & MOs

Info

ID:	40650
PubChem CID:	8144472
Reduced:	SN3O4C19H21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	419.13085
ΔH_f, kcal/mol:	-112.48
Dipole, Da:	3.0
IP(EA), eV:	-9.6(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C(=O)N1)CC2=CC(=CC=C2)S(=O)(=O)N(C)C)C3=CC=CC=C3

DOS

IR

Vibrations