Geometry & MOs

Info

ID:	36743
PubChem CID:	8012040
Reduced:	NSO5H19C20 (1)
Stoich.:	ABC5D19E20 (1)
Weight, g/mol:	354.024518
ΔH_f, kcal/mol:	-115.36
Dipole, Da:	4.03
IP(EA), eV:	-8.8(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-3H-phthalazine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)OCC2=CSC(=N2)C3=CC(=CC=C3)OC)OC

DOS

IR

Vibrations