Geometry & MOs

Info

ID:	272262
PubChem CID:	103737182
Reduced:	FIN2O2H10C11 (1)
Stoich.:	ABC2D2E10F11 (1)
Weight, g/mol:	326.024039
ΔH_f, kcal/mol:	-93.12
Dipole, Da:	2.64
IP(EA), eV:	-9.34(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-5-nitropyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N[C@H]1C(=O)NC2=C(C=C(C=C2)F)I

DOS

IR

Vibrations