Geometry & MOs

Info

ID:	37746
PubChem CID:	8024049
Reduced:	SO2N3H19C20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	379.153206
ΔH_f, kcal/mol:	6.69
Dipole, Da:	3.43
IP(EA), eV:	-8.32(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CN3CCC4=CC=CC=C43

DOS

IR

Vibrations