Geometry & MOs

Info

ID:

68197

PubChem CID:

46507950

Reduced:

ClSO4N5H20C23 (1)

Stoich.:

ABC4D5E20F23 (1)

Weight, g/mol:

454.127503

ΔHf, kcal/mol:

26.27

Dipole, Da:

6.7

IP(EA), eV:

 -9.03(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(2,6-difluorophenyl)-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(=C(C=C3)Cl)[N+](=O)[O-])C(=O)NC4=NOC(=C4)C)C

DOS

IR

Vibrations