Geometry & MOs

Info

ID:	36851
PubChem CID:	8013750
Reduced:	ClN2O6C19H21 (1)
Stoich.:	AB2C6D19E21 (1)
Weight, g/mol:	393.215138
ΔH_f, kcal/mol:	-196.48
Dipole, Da:	5.9
IP(EA), eV:	-8.9(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)acetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=NC=C(C=C1)Cl)OC(=O)CC2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations