Geometry & MOs

Info

ID:	218645
PubChem CID:	85089746
Reduced:	NSO5H27C28 (1)
Stoich.:	ABC5D27E28 (1)
Weight, g/mol:	489.316052
ΔH_f, kcal/mol:	-120.36
Dipole, Da:	4.82
IP(EA), eV:	-8.59(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-phenyl-2-[(tributyl-lambda5-phosphanylidene)amino]ethenyl]bicyclo[5.4.1]dodeca-1,6,8,10-tetraen-4-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)OCCCOC4=CC5=C(C=C4)C(CC5)CC(=O)O

DOS

IR

Vibrations