Geometry & MOs

Info

ID:

179514

PubChem CID:

76491791

Reduced:

SCl2N3O6C34H39 (1)

Stoich.:

AB2C3D6E34F39 (1)

Weight, g/mol:

764.44139

ΔHf, kcal/mol:

-186.13

Dipole, Da:

7.56

IP(EA), eV:

 -8.06(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2-methylheptan-2-yl)phenyl]methyl]-6-(4,6-diphenyl-1,3,5-triazinan-2-ylidene)-3-hexoxycyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

COC(=O)C1C(C(=C(N=C1CC(=O)N2CCC(CC2)N3CCCCC3)CS(=O)C4=CC=CC=C4)C(=O)OC)C5=C(C=CC=C5Cl)Cl

DOS

IR

Vibrations