Geometry & MOs

Info

ID:

68196

PubChem CID:

46507949

Reduced:

SF2O3N4H22C24 (1)

Stoich.:

AB2C3D4E22F24 (1)

Weight, g/mol:

497.092453

ΔHf, kcal/mol:

-114.2

Dipole, Da:

6.41

IP(EA), eV:

 -8.75(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(4-chloro-3-nitrophenyl)-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(C(NC2=S)C3=CC=CC=C3OC(F)F)C(=O)NC4=NOC(=C4)C)C

DOS

IR

Vibrations