Geometry & MOs

Info

ID:

32039

PubChem CID:

4254062

Reduced:

NF2C18H19 (1)

Stoich.:

AB2C18D19 (1)

Weight, g/mol:

852.394559

ΔHf, kcal/mol:

-69.01

Dipole, Da:

1.99

IP(EA), eV:

 -8.36(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-ylmethyl)-1-[15,16-bis(4-hydroxybutyl)-12-[(4-nitrophenyl)methoxyimino]-4,9-bis(prop-2-enoxy)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-10-yl]-1-methylurea

Drug info:

PubChemData

Smile

CCC(C)C1=CC2=C(C=C1)NC(C2)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations