Geometry & MOs

Info

ID:

187129

PubChem CID:

77533962

Reduced:

SN3O3C10H15 (1)

Stoich.:

AB3C3D10E15 (1)

Weight, g/mol:

752.487671

ΔHf, kcal/mol:

-101.45

Dipole, Da:

6.7

IP(EA), eV:

 -9.73(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-(1-tert-butyl-5-methoxyindol-3-yl)-6-[2-(2-ethylhexoxy)-3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene]-1,3,5-triazinan-2-ylidene]-3-(2-ethylhexoxy)-2-methylcyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CNC(=O)CC(C1=CC(=NC=C1)S(=O)(=O)C)N

DOS

IR

Vibrations