Geometry & MOs

Info

ID:	229703
PubChem CID:	87568558
Reduced:	N2O5C23H24 (1)
Stoich.:	A2B5C23D24 (1)
Weight, g/mol:	314.118795
ΔH_f, kcal/mol:	-76.31
Dipole, Da:	7.72
IP(EA), eV:	-8.51(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,4R)-2-methoxy-4-phenylmethoxycyclohexyl] methanesulfonate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C(/C2=CC=CC(=C2)/C=C/C(=O)NO)\C(=O)NC3CC3)OC

DOS

IR

Vibrations