Geometry & MOs

Info

ID:	216714
PubChem CID:	85086660
Reduced:	INO2C9H14 (1)
Stoich.:	ABC2D9E14 (1)
Weight, g/mol:	295.048999
ΔH_f, kcal/mol:	-64.81
Dipole, Da:	2.96
IP(EA), eV:	-9.39(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1,1,1-trifluoro-3-(4-methylphenyl)sulfonylbut-3-en-2-ol

Drug info:

PubChemData

Smile

COC(=O)C1(CCCN1)CC=CI

DOS

IR

Vibrations