Geometry & MOs

Info

ID:	131071
PubChem CID:	51150342
Reduced:	F2N2S2O3C15H16 (1)
Stoich.:	A2B2C2D3E15F16 (1)
Weight, g/mol:	342.115047
ΔH_f, kcal/mol:	-169.11
Dipole, Da:	4.91
IP(EA), eV:	-9.45(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-oxo-3-propylphthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)F)F)NC(=O)CCNS(=O)(=O)C2=CC=CS2

DOS

IR

Vibrations