Geometry & MOs

Info

ID:	35811
PubChem CID:	7980354
Reduced:	SN2O6C19H22 (1)
Stoich.:	AB2C6D19E22 (1)
Weight, g/mol:	333.194008
ΔH_f, kcal/mol:	-191.29
Dipole, Da:	5.18
IP(EA), eV:	-9.1(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N(C)C)OC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations