Geometry & MOs

Info

ID:	61306
PubChem CID:	26708080
Reduced:	S2O3N5C23H23 (1)
Stoich.:	A2B3C5D23E23 (1)
Weight, g/mol:	431.087054
ΔH_f, kcal/mol:	8.1
Dipole, Da:	1.89
IP(EA), eV:	-8.4(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[4-[4-(2,2-dimethylpropanoylamino)phenyl]-1,3-thiazol-2-yl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCC3=NC(=NO3)C4=CSC=C4

DOS

IR

Vibrations