Geometry & MOs

Info

ID:	41570
PubChem CID:	8146351
Reduced:	SCl2O2N4C15H18 (1)
Stoich.:	AB2C2D4E15F18 (1)
Weight, g/mol:	382.156695
ΔH_f, kcal/mol:	-33.42
Dipole, Da:	2.19
IP(EA), eV:	-8.5(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCCN(C1)CN2C(=S)N3C=C(C=C(C3=N2)Cl)Cl

DOS

IR

Vibrations