Geometry & MOs

Info

ID:	193256
PubChem CID:	78365778
Reduced:	N3O6H19C20 (1)
Stoich.:	A3B6C19D20 (1)
Weight, g/mol:	406.109962
ΔH_f, kcal/mol:	-147.37
Dipole, Da:	4.56
IP(EA), eV:	-8.77(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-oxo-1H-phthalazin-1-yl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CC2C3=CC=CC=C3C(=O)N=N2)OC

DOS

IR

Vibrations