Geometry & MOs

Info

ID:	139362
PubChem CID:	52518043
Reduced:	SN4O4C17H18 (1)
Stoich.:	AB4C4D17E18 (1)
Weight, g/mol:	401.246713
ΔH_f, kcal/mol:	-18.33
Dipole, Da:	3.08
IP(EA), eV:	-8.51(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-(1-methylindol-3-yl)ethanone

Drug info:

PubChemData

Smile

C[C@@H](C(=O)C1=CC(=C(C=C1)OC)OC)SC2=NN=NN2CC3=CC=CO3

DOS

IR

Vibrations