Geometry & MOs

Info

ID:	141055
PubChem CID:	52811101
Reduced:	OSCl2N4H16C21 (1)
Stoich.:	ABC2D4E16F21 (1)
Weight, g/mol:	426.071738
ΔH_f, kcal/mol:	50.96
Dipole, Da:	8.45
IP(EA), eV:	-9.06(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-imidazol-1-ylphenyl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)CC2=NC(=CS2)CC(=O)NC3=CC(=C(C=C3)N4C=CN=C4)Cl

DOS

IR

Vibrations