Geometry & MOs

Info

ID:	60538
PubChem CID:	26697154
Reduced:	N2S2O7C20H24 (1)
Stoich.:	A2B2C7D20E24 (1)
Weight, g/mol:	307.132077
ΔH_f, kcal/mol:	-252.85
Dipole, Da:	2.75
IP(EA), eV:	-8.77(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

DOS

IR

Vibrations