Geometry & MOs

Info

ID:	156685
PubChem CID:	56371696
Reduced:	ClSO3N4H19C20 (1)
Stoich.:	ABC3D4E19F20 (1)
Weight, g/mol:	407.165663
ΔH_f, kcal/mol:	-42.19
Dipole, Da:	5.57
IP(EA), eV:	-9.11(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,2-difluoroethyl)-3-(1,4-dioxo-4a,5,8,8a-tetrahydro-3H-phthalazin-2-yl)-N-(2-methoxyethyl)benzamide

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)N4C=CN=C4)Cl

DOS

IR

Vibrations