Geometry & MOs

Info

ID:	192397
PubChem CID:	78264336
Reduced:	BrClF2N2O2H10C16 (1)
Stoich.:	ABC2D2E2F10G16 (1)
Weight, g/mol:	240.142211
ΔH_f, kcal/mol:	-78.33
Dipole, Da:	3.52
IP(EA), eV:	-9.15(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-hydroxypropyl-[3-(4-methylphenyl)sulfanylpropyl]azanium

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC(ON2)C(=O)NC3=C(C=C(C=C3Br)F)F)Cl

DOS

IR

Vibrations