Geometry & MOs

Info

ID:	232354
PubChem CID:	87576055
Reduced:	NS4O9C24H43 (1)
Stoich.:	AB4C9D24E43 (1)
Weight, g/mol:	461.065964
ΔH_f, kcal/mol:	-398.42
Dipole, Da:	13.37
IP(EA), eV:	-8.44(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (2S)-2-amino-4-(5-chloro-7-nitro-1H-indol-2-yl)-3-(methylsulfonyloxymethyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

CC(C)(CCCN(CCOCCOCCOC)C1=CC(=CC(=C1)COS(=O)(=O)C)COS(=O)(=O)C)SSC

DOS

IR

Vibrations