Geometry & MOs

Info

ID:	320671
PubChem CID:	126662435
Reduced:	ClNSF4O6H24C27 (1)
Stoich.:	ABCD4E6F24G27 (1)
Weight, g/mol:	241.01023
ΔH_f, kcal/mol:	-398.03
Dipole, Da:	8.2
IP(EA), eV:	-8.74(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-7-bromo-2-methyl-1,2,3,4-tetrahydroquinolin-3-ol

Drug info:

PubChemData

Smile

CC(C)(C(=O)O)OC1CC2=C(C=C(C=C2)OCC3=C(C=CC=C3Cl)F)N(C1)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations