Geometry & MOs

Info

ID:	83880
PubChem CID:	49862160
Reduced:	SF2O2N3C27H31 (1)
Stoich.:	AB2C2D3E27F31 (1)
Weight, g/mol:	444.061918
ΔH_f, kcal/mol:	-135.72
Dipole, Da:	4.19
IP(EA), eV:	-9.12(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,6-dichlorophenyl)-4-[[6-methyl-4-(trifluoromethyl)pyridin-2-yl]oxymethyl]-5-propan-2-yl-1,2-oxazole

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CC1=CC(=CC(=C1)F)F)[C@@H](CNC2(CCCCC2)C3=CC=CC(=C3)C4=CSC=N4)O

DOS

IR

Vibrations