Geometry & MOs

Info

ID:

223862

PubChem CID:

85335673

Reduced:

SN6O6C29H56 (1)

Stoich.:

AB6C6D29E56 (1)

Weight, g/mol:

625.20603

ΔHf, kcal/mol:

-344.78

Dipole, Da:

6.46

IP(EA), eV:

 -8.67(0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4',9'-dihydroxy-6'-methoxy-3-penta-1,3-dienyl-5-piperazin-2-ylidenespiro[3,4,4a,6,7,9a-hexahydro-2H-cyclopenta[g]isoquinoline-8,2'-cyclopenta[g]naphthalene]-1,1',3',5',8',9-hexone

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCSC)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O)N

DOS

IR

Vibrations