Geometry & MOs

Info

ID:	372643
PubChem CID:	131301438
Reduced:	ClSN3O4H6C8 (1)
Stoich.:	ABC3D4E6F8 (1)
Weight, g/mol:	235.057548
ΔH_f, kcal/mol:	-21.25
Dipole, Da:	5.55
IP(EA), eV:	-10.55(-2.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-amino-3-(2-chloro-3,6-difluorophenyl)butan-1-ol

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1CN)C#N)S(=O)(=O)Cl)[N+](=O)[O-]

DOS

IR

Vibrations