Geometry & MOs

Info

ID:	40743
PubChem CID:	8144628
Reduced:	SO2N4C15H20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	418.158923
ΔH_f, kcal/mol:	-3.62
Dipole, Da:	6.35
IP(EA), eV:	-8.24(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

cyclopropyl-[(4-methoxyphenyl)methyl]-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CN1C(=NN(C1=S)CN2CCOCC2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations