Geometry & MOs

Info

ID:	307608
PubChem CID:	125307728
Reduced:	N2O3H28C32 (1)
Stoich.:	A2B3C28D32 (1)
Weight, g/mol:	404.184841
ΔH_f, kcal/mol:	33.4
Dipole, Da:	4.32
IP(EA), eV:	-8.18(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S)-1-[(2S)-2-methyl-2H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]-N'-propanoylpropanehydrazide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCN2[C@@H](C3=CC=CC=C3C2=O)C4=C5C=CC=CC5=N[C@@H]4C6=CC=CC=C6)OC

DOS

IR

Vibrations