Geometry & MOs

Info

ID:	233919
PubChem CID:	92192450
Reduced:	SN2O6C14H20 (1)
Stoich.:	AB2C6D14E20 (1)
Weight, g/mol:	387.187958
ΔH_f, kcal/mol:	-168.46
Dipole, Da:	3.4
IP(EA), eV:	-10.32(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S,3R)-2-[(4-fluorophenyl)sulfonyl-(3-methylbutyl)amino]-3-methylpentanoate

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