Geometry & MOs

Info

ID:	398282
PubChem CID:	135032660
Reduced:	S6O7C21H30 (1)
Stoich.:	A6B7C21D30 (1)
Weight, g/mol:	471.96089
ΔH_f, kcal/mol:	-281.37
Dipole, Da:	5.74
IP(EA), eV:	-9.18(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-anilino-5,7-dibromo-1-methyl-3-phenylindol-2-one

Drug info:

PubChemData

Smile

CCOC(=S)SC(CC1CCSC1=O)COC(=O)OCC(CC2CCSC2=O)SC(=S)OCC

DOS

IR

Vibrations