Geometry & MOs

Info

ID:	233905
PubChem CID:	92192337
Reduced:	SN2O6C13H18 (1)
Stoich.:	AB2C6D13E18 (1)
Weight, g/mol:	467.07659
ΔH_f, kcal/mol:	-164.02
Dipole, Da:	3.27
IP(EA), eV:	-10.39(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-[benzyl-(4-bromophenyl)sulfonylamino]-4-methylpentanoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](C(C)C)NS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations