Geometry & MOs

Info

ID:

439478

PubChem CID:

135229252

Reduced:

SO2F3N5C18H20 (1)

Stoich.:

AB2C3D5E18F20 (1)

Weight, g/mol:

1128.53289

ΔHf, kcal/mol:

-149.24

Dipole, Da:

8.66

IP(EA), eV:

 -9.51(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)-2-[[3-(4-prop-2-enoxyphenyl)cyclopenta-2,4-dien-1-yl]-[4-[4-[(3E,5Z)-4-(4-prop-2-enoxyphenyl)-1-[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]octa-3,5-dien-7-ynyl]phenyl]phenyl]methyl]benzene

Drug info:

PubChemData

Smile

CCN1C(=NC(=C1S(=O)(=O)CC)C2=NC3=CC(=NC=C3N2C)C(F)(F)F)C4CC4

DOS

IR

Vibrations