Geometry & MOs

Info

ID:	163726
PubChem CID:	58874654
Reduced:	SF3N5O8H26C27 (1)
Stoich.:	AB3C5D8E26F27 (1)
Weight, g/mol:	398.108899
ΔH_f, kcal/mol:	-280.37
Dipole, Da:	7.17
IP(EA), eV:	-9.58(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-dihydroisoindole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCC(=O)NS(=O)(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N(C)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations