Geometry & MOs

Info

ID:	243067
PubChem CID:	99215368
Reduced:	NSF2O9C19H19 (1)
Stoich.:	ABC2D9E19F19 (1)
Weight, g/mol:	394.164105
ΔH_f, kcal/mol:	-430.13
Dipole, Da:	6.48
IP(EA), eV:	-8.91(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[5-(4-methoxyphenyl)pentanoyl]-4-oxo-3H-phthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)OCCC(=O)OC)OC(F)F

DOS

IR

Vibrations