Geometry & MOs

Info

ID:	68191
PubChem CID:	46507937
Reduced:	SF3N3O3C23H24 (1)
Stoich.:	AB3C3D3E23F24 (1)
Weight, g/mol:	404.130697
ΔH_f, kcal/mol:	-225.77
Dipole, Da:	4.9
IP(EA), eV:	-8.83(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-phenylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(NC(=S)N1)C2=C(C(=CC=C2)OC)OC(C)C)C(=O)NC3=CC=CC=C3C(F)(F)F

DOS

IR

Vibrations