Geometry & MOs

Info

ID:	129274
PubChem CID:	51072145
Reduced:	SN2O2C10H16 (1)
Stoich.:	AB2C2D10E16 (1)
Weight, g/mol:	582.07365
ΔH_f, kcal/mol:	-98.08
Dipole, Da:	5.45
IP(EA), eV:	-9.24(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(2,5-dimethylphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole;hydrobromide

Drug info:

PubChemData

Smile

CCCCCCC1=C(NC(=S)NC1=O)O

DOS

IR

Vibrations