Geometry & MOs

Info

ID:	379914
PubChem CID:	134964209
Reduced:	SN2O5C25H40 (1)
Stoich.:	AB2C5D25E40 (1)
Weight, g/mol:	241.106256
ΔH_f, kcal/mol:	-253.63
Dipole, Da:	4.5
IP(EA), eV:	-9.9(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,6R)-6-azido-2-(methoxymethoxy)cyclohex-3-en-1-yl] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/N=C(/C(C)C(C2CCCCC2)NC(=O)OC(C)(C)C)\OC(C)C

DOS

IR

Vibrations