Geometry & MOs

Info

ID:	143111
PubChem CID:	53148350
Reduced:	SF2N2O3H18C20 (1)
Stoich.:	AB2C2D3E18F20 (1)
Weight, g/mol:	374.174276
ΔH_f, kcal/mol:	-135.61
Dipole, Da:	4.83
IP(EA), eV:	-9.04(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxyphenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C=CC=N2)CNS(=O)(=O)CC3=CC(=CC(=C3)F)F

DOS

IR

Vibrations