Geometry & MOs

Info

ID:	57594
PubChem CID:	22425654
Reduced:	ClSO2N4C20H21 (1)
Stoich.:	ABC2D4E20F21 (1)
Weight, g/mol:	422.177647
ΔH_f, kcal/mol:	-6.96
Dipole, Da:	10.34
IP(EA), eV:	-9.1(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-morpholin-4-ylphthalazin-1-yl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC3=NC=C(N=C3C=C2)NCC4=CC=CC=C4Cl

DOS

IR

Vibrations