Geometry & MOs

Info

ID:	133104
PubChem CID:	51477398
Reduced:	NOSC18H21 (1)
Stoich.:	ABCD18E21 (1)
Weight, g/mol:	424.065984
ΔH_f, kcal/mol:	-19.15
Dipole, Da:	2.43
IP(EA), eV:	-8.85(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chloroanilino)-2-oxoethyl] (2R)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CNC(=O)[C@H](C)SCC2=CC=CC=C2

DOS

IR

Vibrations