Geometry & MOs

Info

ID:	191430
PubChem CID:	78145826
Reduced:	NSO4H15C16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	390.186251
ΔH_f, kcal/mol:	-110.26
Dipole, Da:	3.47
IP(EA), eV:	-9.39(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl] benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2CC3=NC(=O)C(C=C3C(=O)C2)C(=O)OC

DOS

IR

Vibrations