Geometry & MOs

Info

ID:	38078
PubChem CID:	8026825
Reduced:	SO2N3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-11.87
Dipole, Da:	3.44
IP(EA), eV:	-9.26(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)CC2=NNC(=O)C3=CC=CC=C32)C4=CC=CS4

DOS

IR

Vibrations