Geometry & MOs

Info

ID:	68359
PubChem CID:	46508253
Reduced:	F3O3N4H21C22 (1)
Stoich.:	A3B3C4D21E22 (1)
Weight, g/mol:	418.146347
ΔH_f, kcal/mol:	-194.92
Dipole, Da:	11.23
IP(EA), eV:	-9.71(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=NC(=NN12)C(F)(F)F)C)CC(=O)OC(C)C(=O)C3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations