Geometry & MOs

Info

ID:	68699
PubChem CID:	46508921
Reduced:	ClNSO4H16C19 (1)
Stoich.:	ABCD4E16F19 (1)
Weight, g/mol:	422.090055
ΔH_f, kcal/mol:	-98.05
Dipole, Da:	1.56
IP(EA), eV:	-9.12(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-fluoro-2-methoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethanone

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CS2)COC(=O)CCC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations