Geometry & MOs

Info

ID:	386863
PubChem CID:	134983182
Reduced:	C8H13 (1)
Stoich.:	A8B13 (1)
Weight, g/mol:	624.082268
ΔH_f, kcal/mol:	9.56
Dipole, Da:	0.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.908188
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;iron;(5R)-5-phenylsulfanylcyclohepta-1,3-diene;triphenyl phosphite

Drug info:

PubChemData

Smile

C[C@@H]1CCCC=C[CH]1

DOS

IR

Vibrations