Geometry & MOs

Info

ID:	148850
PubChem CID:	53788519
Reduced:	BrSiN3O8C20H26 (1)
Stoich.:	ABC3D8E20F26 (1)
Weight, g/mol:	324.241293
ΔH_f, kcal/mol:	-227.06
Dipole, Da:	5.59
IP(EA), eV:	-10.0(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,4S)-1-(1-acetamido-2-ethylbutyl)-4-prop-1-enylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=NC(=N1)OC2=C(C(=C(C=C2)[N+](=O)[O-])OCCBr)C(=O)OCC[Si](C)(C)C)OC

DOS

IR

Vibrations