Geometry & MOs

Info

ID:	226634
PubChem CID:	87550943
Reduced:	O2F3N5H28C29 (1)
Stoich.:	A2B3C5D28E29 (1)
Weight, g/mol:	480.102095
ΔH_f, kcal/mol:	-110.01
Dipole, Da:	2.37
IP(EA), eV:	-9.62(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]-N-(2,2,2-trifluoroethyl)benzamide

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)C2=CC=C(C=C2)F)F)N3CCC(OC3=O)(CCNC(=NC)NC#N)C4=CC=C(C=C4)F

DOS

IR

Vibrations