Geometry & MOs

Info

ID:	63857
PubChem CID:	26759334
Reduced:	N2F3O4C17H21 (1)
Stoich.:	A2B3C4D17E21 (1)
Weight, g/mol:	470.162391
ΔH_f, kcal/mol:	-350.35
Dipole, Da:	3.69
IP(EA), eV:	-10.15(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(=O)NC(C)(C)C)OC(=O)CC1=CC(=CC=C1)C(F)(F)F

DOS

IR

Vibrations