Geometry & MOs

Info

ID:	226647
PubChem CID:	87550958
Reduced:	FO2N3H16C19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	660.12679
ΔH_f, kcal/mol:	67.15
Dipole, Da:	3.34
IP(EA), eV:	-9.04(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-chloro-4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]carbamoyl-(3,3-diphenylpropyl)amino]benzoic acid

Drug info:

PubChemData

Smile

C1CN(CCC1=C(C#CC2=CC=CC=C2)F)C3=C(C=CC=N3)[N+](=O)[O-]

DOS

IR

Vibrations