Geometry & MOs

Info

ID:	163717
PubChem CID:	58874593
Reduced:	NF3O3H16C24 (1)
Stoich.:	AB3C3D16E24 (1)
Weight, g/mol:	579.165034
ΔH_f, kcal/mol:	-158.92
Dipole, Da:	8.55
IP(EA), eV:	-9.36(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-N-(4-propan-2-ylphenyl)sulfonyl-1,3-dihydroisoindole-5-carboxamide

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)C#CC2=CC(=CC=C2)C(F)(F)F)C(=O)C3=CC=CC=C3C(=O)O

DOS

IR

Vibrations