Geometry & MOs

Info

ID:	373545
PubChem CID:	131316777
Reduced:	ClSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	255.027391
ΔH_f, kcal/mol:	-99.67
Dipole, Da:	8.38
IP(EA), eV:	-9.25(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-4-chloro-6-fluorophenol

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C(S2)C(=O)O)C(=C1)Cl

DOS

IR

Vibrations