Geometry & MOs

Info

ID:	372887
PubChem CID:	131306563
Reduced:	NOSF3C10H10 (1)
Stoich.:	ABCD3E10F10 (1)
Weight, g/mol:	269.964
ΔH_f, kcal/mol:	-179.83
Dipole, Da:	3.5
IP(EA), eV:	-9.61(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-amino-4-bromo-2-oxo-1H-indole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@H](C2=C(CO1)C=CC=C2SC(F)(F)F)N

DOS

IR

Vibrations