Geometry & MOs

Info

ID:	138461
PubChem CID:	52369783
Reduced:	F2O2N3C16H21 (1)
Stoich.:	A2B2C3D16E21 (1)
Weight, g/mol:	409.080489
ΔH_f, kcal/mol:	-171.44
Dipole, Da:	4.2
IP(EA), eV:	-8.92(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-6-fluorophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]-5-methyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C[C@H](CC1=O)C(=O)NC2=CC(=C(C(=C2)F)N(C)C)F

DOS

IR

Vibrations