Geometry & MOs

Info

ID:	41706
PubChem CID:	8146892
Reduced:	ClF2N2O4H17C19 (1)
Stoich.:	AB2C2D4E17F19 (1)
Weight, g/mol:	344.043105
ΔH_f, kcal/mol:	-230.92
Dipole, Da:	1.3
IP(EA), eV:	-9.25(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-difluorophenyl)sulfanylmethyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C(=O)N1)CCOC2=CC(=CC=C2)Cl)C3=CC=C(C=C3)OC(F)F

DOS

IR

Vibrations