Geometry & MOs

Info

ID:	222527
PubChem CID:	85305420
Reduced:	NSO6C16H25 (1)
Stoich.:	ABC6D16E25 (1)
Weight, g/mol:	359.118899
ΔH_f, kcal/mol:	-223.95
Dipole, Da:	4.62
IP(EA), eV:	-9.25(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-methyl-5-(2-trimethylsilylethynyl)-6-oxabicyclo[3.1.0]hexan-2-yl] 4-nitrobenzoate

Drug info:

PubChemData

Smile

CC(=O)C(C(CC(OC)OC)N(C)S(=O)(=O)C1=CC=CC=C1)OC

DOS

IR

Vibrations