Geometry & MOs

Info

ID:	320650
PubChem CID:	126662365
Reduced:	BrNO3C10H10 (1)
Stoich.:	ABC3D10E10 (1)
Weight, g/mol:	575.134478
ΔH_f, kcal/mol:	-104.0
Dipole, Da:	1.3
IP(EA), eV:	-9.03(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S)-7-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-1-(4-fluoro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

C[C@@H]([C@H]1C(=O)NC2=C(O1)C=CC(=C2)Br)O

DOS

IR

Vibrations