Geometry & MOs

Info

ID:	390848
PubChem CID:	135001254
Reduced:	BClSiO2C23H30 (1)
Stoich.:	ABCD2E23F30 (1)
Weight, g/mol:	382.105372
ΔH_f, kcal/mol:	-164.0
Dipole, Da:	5.29
IP(EA), eV:	-8.9(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbanide;cyclopenta-1,3-diene;iron(4+);(1S)-1-[2-(4-methylphenyl)sulfanylcyclopenta-2,4-dien-1-yl]ethanol

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C/C(=C/C2=CC=C(C=C2)Cl)/[Si](C)(C)C3=CC=CC=C3

DOS

IR

Vibrations