Geometry & MOs

Info

ID:	197778
PubChem CID:	78995709
Reduced:	NSCl2O3H9C12 (1)
Stoich.:	ABC2D3E9F12 (1)
Weight, g/mol:	249.152892
ΔH_f, kcal/mol:	-82.08
Dipole, Da:	6.06
IP(EA), eV:	-8.93(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-[cyclopropyl(cyclopropylmethyl)amino]-5-fluorophenyl]ethanol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)S(=O)(=O)NC2=C(C(=CC=C2)Cl)O)Cl

DOS

IR

Vibrations