Geometry & MOs

Info

ID:	432568
PubChem CID:	135172701
Reduced:	SO3N7C28H29 (1)
Stoich.:	AB3C7D28E29 (1)
Weight, g/mol:	456.216141
ΔH_f, kcal/mol:	-7.03
Dipole, Da:	10.26
IP(EA), eV:	-8.06(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-(1H-indol-5-yloxy)ethanone

Drug info:

PubChemData

Smile

C[C@@H](C1=NC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C=C)NC3=NC4=C(C(=N3)N5[C@H](COC5=O)C(C)C)SC=C4

DOS

IR

Vibrations