Geometry & MOs

Info

ID:

327588

PubChem CID:

126690419

Reduced:

SCl2O3N8C26H30 (1)

Stoich.:

AB2C3D8E26F30 (1)

Weight, g/mol:

515.205636

ΔHf, kcal/mol:

1.66

Dipole, Da:

3.99

IP(EA), eV:

 -8.51(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(4E,6Z)-4,6-bis(2-hydroxy-3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-1,3,5-triazinan-2-ylidene]-3-cyclopentyloxy-2-methylcyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=NC=NC(=C2)NC(=NC)C3=C(C(=CS3)C(=O)NC4=C(C(=CC(=C4Cl)OC)OC)Cl)N=C

DOS

IR

Vibrations