Geometry & MOs

Info

ID:	58007
PubChem CID:	24398216
Reduced:	ClS2N3O3H12C18 (1)
Stoich.:	AB2C3D3E12F18 (1)
Weight, g/mol:	464.016846
ΔH_f, kcal/mol:	-26.12
Dipole, Da:	3.89
IP(EA), eV:	-9.0(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-oxo-3-phenylphthalazine-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NC3=NC(=CS3)C4=CC=C(S4)Cl

DOS

IR

Vibrations