Geometry & MOs

Info

ID:	439805
PubChem CID:	135229644
Reduced:	ClSC12H23 (1)
Stoich.:	ABC12D23 (1)
Weight, g/mol:	927.31373
ΔH_f, kcal/mol:	-58.11
Dipole, Da:	4.33
IP(EA), eV:	-8.88(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-3-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine

Drug info:

PubChemData

Smile

CC1CC(CCCC1CCl)CC(C)S

DOS

IR

Vibrations