Geometry & MOs

Info

ID:	296994
PubChem CID:	117605142
Reduced:	PS2O6H19C20 (1)
Stoich.:	AB2C6D19E20 (1)
Weight, g/mol:	417.189986
ΔH_f, kcal/mol:	-200.91
Dipole, Da:	9.71
IP(EA), eV:	-9.34(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]acetyl]-2,3-dihydroindole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)O)C2=C(C(=CC=C2)P)C3=C(C=CC(=C3)S(=O)(=O)O)C

DOS

IR

Vibrations