Geometry & MOs

Info

ID:	29554
PubChem CID:	835111
Reduced:	FOS2N3H12C16 (1)
Stoich.:	ABC2D3E12F16 (1)
Weight, g/mol:	300.072177
ΔH_f, kcal/mol:	-5.64
Dipole, Da:	7.05
IP(EA), eV:	-8.73(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-(1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations