Geometry & MOs

Info

ID:	390270
PubChem CID:	134998180
Reduced:	N2O3H16C21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	272.144616
ΔH_f, kcal/mol:	44.27
Dipole, Da:	6.18
IP(EA), eV:	-8.99(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-tert-butyl (2R)-2-[(1R)-3-(hydroxymethyl)-3-methyl-2-oxocyclopentyl]propanethioate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations