Geometry & MOs

Info

ID:	303313
PubChem CID:	124489495
Reduced:	N2O4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	268.113316
ΔH_f, kcal/mol:	-127.24
Dipole, Da:	5.41
IP(EA), eV:	-8.51(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[(R)-phenylsulfinyl]hexanoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OC[C@H](CN2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3)O

DOS

IR

Vibrations