Geometry & MOs

Info

ID:	43927
PubChem CID:	10322080
Reduced:	ClFeN3C25H28 (1)
Stoich.:	ABC3D25E28 (1)
Weight, g/mol:	462.176642
ΔH_f, kcal/mol:	286.76
Dipole, Da:	7.14
IP(EA), eV:	-7.14(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(trifluoromethyl)phenyl]methyl (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

CCN(CC)C[C]1[CH][CH][CH][C]1CNC2=C3C=CC(=CC3=NC=C2)Cl.[CH]1[CH][CH][CH][CH]1.[Fe+2]

DOS

IR

Vibrations