Geometry & MOs

Info

ID:	36728
PubChem CID:	8011923
Reduced:	NF3O5H16C18 (1)
Stoich.:	AB3C5D16E18 (1)
Weight, g/mol:	361.108086
ΔH_f, kcal/mol:	-316.8
Dipole, Da:	7.93
IP(EA), eV:	-9.12(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)C(F)(F)F)OC

DOS

IR

Vibrations