Geometry & MOs

Info

ID:	392947
PubChem CID:	135018631
Reduced:	FN2O5C16H23 (1)
Stoich.:	AB2C5D16E23 (1)
Weight, g/mol:	315.215806
ΔH_f, kcal/mol:	-243.4
Dipole, Da:	5.29
IP(EA), eV:	-9.49(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[[dimethylamino(dimethylazaniumylidene)methyl]-[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-1-methoxyprop-1-en-1-olate

Drug info:

PubChemData

Smile

CCOC(=O)NN([C@@H](CO)[C@H](CF)C1=CC=CC=C1)C(=O)OCC

DOS

IR

Vibrations