Geometry & MOs

Info

ID:	244663
PubChem CID:	99376308
Reduced:	SN3O6C23H33 (1)
Stoich.:	AB3C6D23E33 (1)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	-250.14
Dipole, Da:	5.81
IP(EA), eV:	-9.19(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)N[C@H]1CCCN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations