Geometry & MOs

Info

ID:	185492
PubChem CID:	77304252
Reduced:	FO5N7H15C16 (1)
Stoich.:	AB5C7D15E16 (1)
Weight, g/mol:	523.239014
ΔH_f, kcal/mol:	-106.93
Dipole, Da:	2.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.951768
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(benzamidomethyl)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]prop-2-enyl benzoate

Drug info:

PubChemData

Smile

CN1C(=O)C2C(=[N+](C1=O)C)N=NN2CC(=O)NC3=NC4=CC(=C(C=C4O3)F)OC

DOS

IR

Vibrations