Geometry & MOs

Info

ID:	443412
PubChem CID:	135258920
Reduced:	N4O4C13H18 (1)
Stoich.:	A4B4C13D18 (1)
Weight, g/mol:	559.07191
ΔH_f, kcal/mol:	-37.93
Dipole, Da:	7.34
IP(EA), eV:	-9.47(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[[5-[[(1Z,3E)-4-bromo-2-(methylcarbamoyl)buta-1,3-dienyl]-formylamino]oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]acetate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C#N)[N+](=O)[O-])NCCOCCOCCN

DOS

IR

Vibrations