Geometry & MOs

Info

ID:	170988
PubChem CID:	75308557
Reduced:	BrOCl2N2C23H31 (1)
Stoich.:	ABC2D2E23F31 (1)
Weight, g/mol:	475.149654
ΔH_f, kcal/mol:	-77.84
Dipole, Da:	3.07
IP(EA), eV:	-8.66(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenyl]thiourea;hydrochloride

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC=CC=C2)C3CN(CCC3O)CC4=CC(=CC=C4)Br.Cl.Cl

DOS

IR

Vibrations