Geometry & MOs

Info

ID:	194235
PubChem CID:	78502468
Reduced:	SO2N3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	422.184172
ΔH_f, kcal/mol:	-1.78
Dipole, Da:	4.97
IP(EA), eV:	-9.13(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3-(2-hydroxyethyl)-4-oxophthalazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(O2)SC(C)C(=O)NC3CC3

DOS

IR

Vibrations