Geometry & MOs

Info

ID:	139342
PubChem CID:	52513699
Reduced:	SF2N2O2C19H20 (1)
Stoich.:	AB2C2D2E19F20 (1)
Weight, g/mol:	367.213401
ΔH_f, kcal/mol:	-128.87
Dipole, Da:	6.54
IP(EA), eV:	-8.4(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-3-[(7-methyl-1H-imidazo[1,2-a]pyridin-4-ium-2-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CN(C[C@H]1CNC(=O)CCC(=O)C2=CC=CS2)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations