Geometry & MOs

Info

ID:	39538
PubChem CID:	8141244
Reduced:	SF2N2O3H18C21 (1)
Stoich.:	AB2C2D3E18F21 (1)
Weight, g/mol:	411.085304
ΔH_f, kcal/mol:	-135.37
Dipole, Da:	5.58
IP(EA), eV:	-9.33(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)C1=CC=C(C=C1)OCC(=O)NC2=NC(=C(S2)C)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations