Geometry & MOs

Info

ID:	164541
PubChem CID:	74414757
Reduced:	ClFON3C18H27 (1)
Stoich.:	ABCD3E18F27 (1)
Weight, g/mol:	434.108956
ΔH_f, kcal/mol:	3.42
Dipole, Da:	8.25
IP(EA), eV:	-4.19(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-phenyl-2-[[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carbonyl]amino]acetate

Drug info:

PubChemData

Smile

C[NH+]1CCC(CC1)[NH+]2CCCC(C2)NC(=O)C3=C(C=C(C=C3)F)Cl

DOS

IR

Vibrations