Geometry & MOs

Info

ID:	68208
PubChem CID:	46507966
Reduced:	ClFN3O3H17C19 (1)
Stoich.:	ABC3D3E17F19 (1)
Weight, g/mol:	472.118082
ΔH_f, kcal/mol:	-138.9
Dipole, Da:	4.7
IP(EA), eV:	-9.15(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)CN2C(=O)C(NC2=O)(C)C3=CC=C(C=C3)F

DOS

IR

Vibrations