Geometry & MOs

Info

ID:	321790
PubChem CID:	126666983
Reduced:	NF2O2C6H11 (1)
Stoich.:	AB2C2D6E11 (1)
Weight, g/mol:	310.02522
ΔH_f, kcal/mol:	-207.87
Dipole, Da:	3.03
IP(EA), eV:	-10.06(1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-cyclonon-5-en-1-yl]-1-iodoethanethiol

Drug info:

PubChemData

Smile

C1[C@H]([C@@H]([C@@H](C1C(F)F)O)O)N

DOS

IR

Vibrations