Geometry & MOs

Info

ID:	146257
PubChem CID:	53659914
Reduced:	ON3C8H11 (1)
Stoich.:	AB3C8D11 (1)
Weight, g/mol:	592.326085
ΔH_f, kcal/mol:	-11.43
Dipole, Da:	3.27
IP(EA), eV:	-9.83(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-[butyl-[3-(dimethylamino)propyl]amino]-2-oxoethyl]-2-[2-(2-oxo-3H-indol-1-yl)ethyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(N)(N)NC=O

DOS

IR

Vibrations