Geometry & MOs

Info

ID:	149188
PubChem CID:	53788860
Reduced:	S2O4N5C16H21 (1)
Stoich.:	A2B4C5D16E21 (1)
Weight, g/mol:	342.06919
ΔH_f, kcal/mol:	-19.78
Dipole, Da:	4.65
IP(EA), eV:	-8.82(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octyl (3R)-3-hydroxy-4-iodobutanoate

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CSCCNC(=NC)C([N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations