Geometry & MOs

Info

ID:

427497

PubChem CID:

135159346

Reduced:

NS2C50H51 (1)

Stoich.:

AB2C50D51 (1)

Weight, g/mol:

852.465479

ΔHf, kcal/mol:

142.23

Dipole, Da:

2.65

IP(EA), eV:

 -7.6(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclohexa-2,4-dien-1-yl-N-[4-[3'-[4-[cyclohexa-1,5-dien-1-yl(cyclohex-3-en-1-yl)amino]cyclohex-2-en-1-yl]spiro[3,4-dihydroxanthene-9,9'-xanthene]-3-yl]cyclohex-3-en-1-yl]aniline

Drug info:

PubChemData

Smile

CC1CCCC=C1N2C3CCC(=CC3C4=C2CCC=C4)C5=CC6=C(C=C5)SC7=CC=CC=C7C68C9C=CCC(C9SC1C8C=CC=C1)C1=CCCC=C1

DOS

IR

Vibrations