Geometry & MOs

Info

ID:	374768
PubChem CID:	131342655
Reduced:	BrSO2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	220.082347
ΔH_f, kcal/mol:	-57.47
Dipole, Da:	1.96
IP(EA), eV:	-8.67(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-2-[4-(trifluoromethyl)pyridin-2-yl]propan-1-ol

Drug info:

PubChemData

Smile

CC1=CSC2=C(C=C(C=C12)Br)CC(=O)OC

DOS

IR

Vibrations