Geometry & MOs

Info

ID:	226722
PubChem CID:	87557842
Reduced:	N2O4H14C17 (1)
Stoich.:	A2B4C14D17 (1)
Weight, g/mol:	525.257632
ΔH_f, kcal/mol:	-63.57
Dipole, Da:	2.99
IP(EA), eV:	-9.38(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

trimethyl-[(2R)-4-oxo-2-[[5-[2-(4-pentylphenyl)ethyl]furan-2-carbonyl]amino]-4-(2,2,2-trifluoroacetyl)oxybutyl]azanium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC(CN=C=O)C(N=C=O)OC2=CC=CC=C2

DOS

IR

Vibrations