Geometry & MOs

Info

ID:	33938
PubChem CID:	7888896
Reduced:	SO2N3H15C16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	387.062198
ΔH_f, kcal/mol:	9.81
Dipole, Da:	4.07
IP(EA), eV:	-8.92(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 1H-indole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](C1=CC=CC=C1)SC2=NN=C3N2C=CC=C3

DOS

IR

Vibrations