Geometry & MOs

Info

ID:	138548
PubChem CID:	52384191
Reduced:	FNOSC15H24 (1)
Stoich.:	ABCDE15F24 (1)
Weight, g/mol:	286.164089
ΔH_f, kcal/mol:	-85.59
Dipole, Da:	5.43
IP(EA), eV:	-8.33(0.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4-fluorophenyl)methyl-[(2R)-1-hydroxybutan-2-yl]-(3-methylsulfanylpropyl)azanium

Drug info:

PubChemData

Smile

CC[C@@H](CO)N(CCCSC)CC1=CC=C(C=C1)F

DOS

IR

Vibrations