Geometry & MOs

Info

ID:	82179
PubChem CID:	49855727
Reduced:	O7C26H26 (1)
Stoich.:	A7B26C26 (1)
Weight, g/mol:	367.192733
ΔH_f, kcal/mol:	-201.73
Dipole, Da:	1.77
IP(EA), eV:	-8.6(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-3-ethoxy-3-oxoprop-1-enyl]pyrrolidin-2-yl]-2-diazonioethenolate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)[C@@H]([C@H](CO)C2=CC3=C(C=C2)OCO3)C(=O)OC)OCC4=CC=CC=C4

DOS

IR

Vibrations