Geometry & MOs

Info

ID:	447269
PubChem CID:	135281645
Reduced:	ClFO5C22H22 (1)
Stoich.:	ABC5D22E22 (1)
Weight, g/mol:	556.92663
ΔH_f, kcal/mol:	-231.02
Dipole, Da:	6.05
IP(EA), eV:	-10.14(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-[(4-chloro-2-methylsulfonylphenyl)methyl]-3-(4-chlorophenyl)-4-fluoro-3-hydroxyisoindol-1-one

Drug info:

PubChemData

Smile

CC[C@](C1CCOCC1)(C2=CC(=C(C(=C2)F)C(=O)C3=CC=C(C=C3)Cl)C(=O)O)O

DOS

IR

Vibrations