Geometry & MOs

Info

ID:	372291
PubChem CID:	131295565
Reduced:	SO4H10C11 (1)
Stoich.:	AB4C10D11 (1)
Weight, g/mol:	215.11217
ΔH_f, kcal/mol:	-120.89
Dipole, Da:	4.76
IP(EA), eV:	-8.73(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-amino-3-(2,5-difluorophenyl)-2,2-dimethylpropan-1-ol

Drug info:

PubChemData

Smile

COC1=C(C=CC2=C1C=C(S2)O)C(=O)OC

DOS

IR

Vibrations