Geometry & MOs

Info

ID:

68141

PubChem CID:

46507826

Reduced:

FSO2N3C23H24 (1)

Stoich.:

ABC2D3E23F24 (1)

Weight, g/mol:

489.172228

ΔHf, kcal/mol:

-68.89

Dipole, Da:

7.63

IP(EA), eV:

 -8.48(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(2-ethoxyphenyl)-11-(hydroxymethyl)-5-(4-methoxyphenyl)-14-methyl-2-oxa-4,6,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),11,13-tetraene-7-thione

Drug info:

PubChemData

Smile

CC1=NC=C(C2=C1OC3=C(C2)C(=S)NC4(N3C5=CC=C(C=C5)F)CCCCC4)CO

DOS

IR

Vibrations