Geometry & MOs

Info

ID:	222644
PubChem CID:	85306412
Reduced:	S2N3O6C20H29 (1)
Stoich.:	A2B3C6D20E29 (1)
Weight, g/mol:	476.198759
ΔH_f, kcal/mol:	-237.83
Dipole, Da:	7.25
IP(EA), eV:	-8.86(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(2,5-dimethylphenyl)-8a-[2-(2,5-dimethylphenyl)ethenyl]-4b,9-dihydro-4aH-phenanthrene-1,4,5,8-tetrone

Drug info:

PubChemData

Smile

CCOC(=O)C1CSC(N1)C2CC(CN2)SC3=C(N4C(C3C)C(C4=O)C(C)O)C(=O)O

DOS

IR

Vibrations