Geometry & MOs

Info

ID:	79539
PubChem CID:	49826097
Reduced:	O2F3N5H16C19 (1)
Stoich.:	A2B3C5D16E19 (1)
Weight, g/mol:	422.190223
ΔH_f, kcal/mol:	-107.15
Dipole, Da:	6.05
IP(EA), eV:	-9.3(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2-hydroxy-3-phenoxypropyl)-[2-[4-(phenylcarbamothioylamino)phenyl]ethyl]azanium

Drug info:

PubChemData

Smile

CC1=NC2=NC(=C)C(C(N2N1)C3=CC=CO3)C(=O)NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations