Geometry & MOs

Info

ID:	320639
PubChem CID:	126662243
Reduced:	BrFNO2C10H13 (1)
Stoich.:	ABCD2E10F13 (1)
Weight, g/mol:	525.078855
ΔH_f, kcal/mol:	-123.08
Dipole, Da:	1.93
IP(EA), eV:	-8.86(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-7-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-3-ol

Drug info:

PubChemData

Smile

C[C@H]([C@H](CO)O)NC1=C(C=C(C=C1)Br)F

DOS

IR

Vibrations