Geometry & MOs

Info

ID:	244047
PubChem CID:	99309519
Reduced:	ClSN2O3C23H27 (1)
Stoich.:	ABC2D3E23F27 (1)
Weight, g/mol:	434.195405
ΔH_f, kcal/mol:	-111.36
Dipole, Da:	6.26
IP(EA), eV:	-9.07(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(=O)N2CCC(CC2)NC(=O)CSCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations