Geometry & MOs

Info

ID:	195636
PubChem CID:	78712860
Reduced:	FN2O5H19C21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	398.130028
ΔH_f, kcal/mol:	-196.89
Dipole, Da:	5.32
IP(EA), eV:	-9.56(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CC1=CC(=CC=C1)F)OC(=O)CN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations