Geometry & MOs

Info

ID:	56426
PubChem CID:	17425422
Reduced:	ClN3O5C24H26 (1)
Stoich.:	AB3C5D24E26 (1)
Weight, g/mol:	313.088498
ΔH_f, kcal/mol:	-177.62
Dipole, Da:	5.01
IP(EA), eV:	-8.6(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-oxo-3H-phthalazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide

Drug info:

PubChemData

Smile

CC(C)C(C1=CC2=C(C=C1)OCCO2)NC(=O)CN3C(=O)C(NC3=O)(C)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations