Geometry & MOs

Info

ID:	46813
PubChem CID:	10527498
Reduced:	N3F4O4C20H27 (1)
Stoich.:	A3B4C4D20E27 (1)
Weight, g/mol:	449.104542
ΔH_f, kcal/mol:	-393.0
Dipole, Da:	5.89
IP(EA), eV:	-9.7(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(phenylmethoxymethyl)-1,2-oxazol-3-yl]-5-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methoxymethyl]-1,2-oxazole

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)F)C(=O)CCCC[NH3+].C(=O)(C(F)(F)F)[O-]

DOS

IR

Vibrations