Geometry & MOs

Info

ID:	229755
PubChem CID:	87568809
Reduced:	BrNPF2O3C15H21 (1)
Stoich.:	ABCD2E3F15G21 (1)
Weight, g/mol:	623.11136
ΔH_f, kcal/mol:	-262.62
Dipole, Da:	5.21
IP(EA), eV:	-9.31(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[2-[4-(difluoromethyl)phenyl]-2,2-difluoroethoxy]-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]phenyl]-2H-1,2,4-oxadiazol-5-one

Drug info:

PubChemData

Smile

CCOP(=O)(C(C1=C(C=C(C=C1)CN2CCC2)Br)(F)F)OCC

DOS

IR

Vibrations