Geometry & MOs

Info

ID:	37449
PubChem CID:	8021171
Reduced:	ClNO5C16H20 (1)
Stoich.:	ABC5D16E20 (1)
Weight, g/mol:	396.1452
ΔH_f, kcal/mol:	-207.21
Dipole, Da:	3.95
IP(EA), eV:	-8.89(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OCC(=O)OCC(=O)NC[C@@H]2CCCO2

DOS

IR

Vibrations