Geometry & MOs

Info

ID:	380889
PubChem CID:	134971473
Reduced:	N2O2H10C11 (1)
Stoich.:	A2B2C10D11 (1)
Weight, g/mol:	312.13953
ΔH_f, kcal/mol:	0.07
Dipole, Da:	4.58
IP(EA), eV:	-8.87(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (6R)-6-hydroxy-7-[(R)-(4-methylphenyl)sulfinyl]heptanoate

Drug info:

PubChemData

Smile

C/C(=C/1\C=NC2=CC=CC=C2C1=O)/NO

DOS

IR

Vibrations