Geometry & MOs

Info

ID:	149855
PubChem CID:	53789534
Reduced:	NO4C9H11 (1)
Stoich.:	AB4C9D11 (1)
Weight, g/mol:	482.300539
ΔH_f, kcal/mol:	-150.33
Dipole, Da:	1.8
IP(EA), eV:	-8.85(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(2S)-2-[2-[2-(6-carbamimidoyl-1-ethylindol-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-hydroxybutanamide

Drug info:

PubChemData

Smile

CC1=CNC(=C1)CC(=O)OC(=O)OC

DOS

IR

Vibrations