Geometry & MOs

Info

ID:	320347
PubChem CID:	126659629
Reduced:	ClFN2O2C28H28 (1)
Stoich.:	ABC2D2E28F28 (1)
Weight, g/mol:	489.03628
ΔH_f, kcal/mol:	-66.07
Dipole, Da:	4.15
IP(EA), eV:	-8.77(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[5-(4-bromophenyl)-3-methyl-4,5-dihydro-1,2-oxazol-4-yl]-2,2-difluoro-4-[4-(trifluoromethyl)phenyl]but-3-en-1-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C3C=CN(C3=NC(=C2C(C=O)OC(C)(C)C)C)CC4=C(C(=CC=C4)Cl)F

DOS

IR

Vibrations