Geometry & MOs

Info

ID:	404418
PubChem CID:	135066273
Reduced:	SN2O6H22C26 (1)
Stoich.:	AB2C6D22E26 (1)
Weight, g/mol:	321.157623
ΔH_f, kcal/mol:	-82.28
Dipole, Da:	10.24
IP(EA), eV:	-9.05(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S,4R)-4-butyl-3-(2-hydroxyanilino)-2-oxooxolane-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations