Geometry & MOs

Info

ID:	310670
PubChem CID:	126584214
Reduced:	FSO3N4H19C21 (1)
Stoich.:	ABC3D4E19F21 (1)
Weight, g/mol:	263.090606
ΔH_f, kcal/mol:	-62.07
Dipole, Da:	8.47
IP(EA), eV:	-8.96(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-amino-1-methyl-4-nitroindol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CN(CC(C1=NC=CN=C1)O)S(=O)(=O)C2=CC=C(C=C2)C3=CNC4=C3C=CC(=C4)F

DOS

IR

Vibrations