Geometry & MOs

Info

ID:	68126
PubChem CID:	46507798
Reduced:	SN4O4H20C21 (1)
Stoich.:	AB4C4D20E21 (1)
Weight, g/mol:	420.161997
ΔH_f, kcal/mol:	-48.44
Dipole, Da:	2.64
IP(EA), eV:	-8.53(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1H-inden-5-yl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

C1COCCN1C2=NN=C(C3=CC=CC=C32)SCC(=O)NC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations