Geometry & MOs

Info

ID:	335017
PubChem CID:	127253823
Reduced:	SN3O5C26H31 (1)
Stoich.:	AB3C5D26E31 (1)
Weight, g/mol:	488.169585
ΔH_f, kcal/mol:	-152.78
Dipole, Da:	2.5
IP(EA), eV:	-8.25(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxy-5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CNC(=O)[C@@H]1CC2=CC(=C(C=C2CN1C(=O)[C@H](CCSC)N3CC4=CC=CC=C4C3=O)OC)OC

DOS

IR

Vibrations