Geometry & MOs

Info

ID:	61751
PubChem CID:	26712497
Reduced:	SN3O4C25H27 (1)
Stoich.:	AB3C4D25E27 (1)
Weight, g/mol:	378.169191
ΔH_f, kcal/mol:	-109.51
Dipole, Da:	8.5
IP(EA), eV:	-8.96(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations