Geometry & MOs

Info

ID:	40754
PubChem CID:	8144648
Reduced:	ClSO2N4C20H21 (1)
Stoich.:	ABC2D4E20F21 (1)
Weight, g/mol:	376.166117
ΔH_f, kcal/mol:	16.89
Dipole, Da:	5.84
IP(EA), eV:	-8.44(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

cyclopropyl-[(4-methoxyphenyl)methyl]-[(4-oxo-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NN(C(=S)N2C3=CC=C(C=C3)Cl)CN4CCOCC4

DOS

IR

Vibrations