Geometry & MOs

Info

ID:	33956
PubChem CID:	7888990
Reduced:	FN3O5H14C18 (1)
Stoich.:	AB3C5D14E18 (1)
Weight, g/mol:	351.121906
ΔH_f, kcal/mol:	-115.55
Dipole, Da:	11.75
IP(EA), eV:	-9.38(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 1H-indole-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations