Geometry & MOs

Info

ID:	402278
PubChem CID:	135055337
Reduced:	CoNSSiO2C30H35 (1)
Stoich.:	ABCDE2F30G35 (1)
Weight, g/mol:	421.153177
ΔH_f, kcal/mol:	6.55
Dipole, Da:	22.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 3.095080
Charge, e:	0

Chem-info

IUPAC name:

[(4aS)-9-(benzenesulfonyl)-2,3,4a,9a-tetrahydro-1H-cyclopenta[b]carbazol-4-yl]-trimethylsilane

Drug info:

PubChemData

Smile

[CH3-].C[Si](C)(C)C1=C2CCCC2=CC3[C@@H]1C4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5.C1=C[CH]C=C1.[Co]

DOS

IR

Vibrations