Geometry & MOs

Info

ID:	307825
PubChem CID:	125309631
Reduced:	F3O4C21H27 (1)
Stoich.:	A3B4C21D27 (1)
Weight, g/mol:	342.215472
ΔH_f, kcal/mol:	-342.79
Dipole, Da:	3.59
IP(EA), eV:	-9.78(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3aS,7aS)-1-[(2R)-2-[[(2R)-1-hydroperoxypentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@H](CC=C)[C@H](CCC(F)(F)F)C(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations