Geometry & MOs

Info

ID:	63248
PubChem CID:	26750337
Reduced:	NO5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	454.167477
ΔH_f, kcal/mol:	-165.72
Dipole, Da:	4.65
IP(EA), eV:	-8.34(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbonyl]-2H-phthalazin-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)[C@@H](C)OC(=O)/C=C/C2=C(C=CC(=C2)OC)OC)C

DOS

IR

Vibrations