Geometry & MOs

Info

ID:	233918
PubChem CID:	92192449
Reduced:	SN2O6C14H20 (1)
Stoich.:	AB2C6D14E20 (1)
Weight, g/mol:	344.104208
ΔH_f, kcal/mol:	-164.05
Dipole, Da:	2.94
IP(EA), eV:	-10.27(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S,3S)-3-methyl-2-[(4-nitrophenyl)sulfonylamino]pentanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations