Geometry & MOs

Info

ID:	413588
PubChem CID:	135086537
Reduced:	NOSC11H13 (1)
Stoich.:	ABCD11E13 (1)
Weight, g/mol:	428.12123
ΔH_f, kcal/mol:	-13.49
Dipole, Da:	4.16
IP(EA), eV:	-7.72(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S)-2-cyclohexyl-4-iodo-6-(2-phenylmethoxyethyl)oxane

Drug info:

PubChemData

Smile

CC(=O)N/C(=C\SC)/C1=CC=CC=C1

DOS

IR

Vibrations