Geometry & MOs

Info

ID:	226795
PubChem CID:	87558362
Reduced:	O2C12H15 (2)
Stoich.:	A2B12C15 (2)
Weight, g/mol:	457.104502
ΔH_f, kcal/mol:	-101.32
Dipole, Da:	1.99
IP(EA), eV:	-9.37(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

trimethyl-[(2R)-4-oxo-2-[[5-(2-thiophen-3-ylethynyl)furan-2-carbonyl]amino]-4-(2,2,2-trifluoroacetyl)oxybutyl]azanium

Drug info:

PubChemData

Smile

CC1(C(O1)(C2=CC=C(C=C2)CCC3=CC=C(C=C3)C4(C(O4)(C)C)OC)OC)C

DOS

IR

Vibrations