Geometry & MOs

Info

ID:

136769

PubChem CID:

52097962

Reduced:

FS2O3N5H18C20 (1)

Stoich.:

AB2C3D5E18F20 (1)

Weight, g/mol:

498.103162

ΔHf, kcal/mol:

-29.9

Dipole, Da:

7.0

IP(EA), eV:

 -8.85(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6Z)-2-ethylsulfonyl-5-imino-6-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=NN2C(=N)/C(=C/C3=C(N(C(=C3)C)C4=CC=C(C=C4)F)C)/C(=O)N=C2S1

DOS

IR

Vibrations