Geometry & MOs

Info

ID:	37791
PubChem CID:	8024448
Reduced:	N2F3O3H17C21 (1)
Stoich.:	A2B3C3D17E21 (1)
Weight, g/mol:	296.095654
ΔH_f, kcal/mol:	-204.13
Dipole, Da:	2.63
IP(EA), eV:	-9.46(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2S)-2-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]sulfanylpropanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C(=O)NC2=CC=CC=C2C(F)(F)F)NC(=O)C3=CC=CO3

DOS

IR

Vibrations