Geometry & MOs

Info

ID:	33955
PubChem CID:	7888988
Reduced:	S2O3N5C17H19 (1)
Stoich.:	A2B3C5D17E19 (1)
Weight, g/mol:	371.091749
ΔH_f, kcal/mol:	-24.39
Dipole, Da:	4.91
IP(EA), eV:	-9.29(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 1H-indole-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N(C)C)SC2=NN=C3N2C=CC=C3

DOS

IR

Vibrations