Geometry & MOs

Info

ID:	194523
PubChem CID:	78548091
Reduced:	FNO4H14C16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	405.116542
ΔH_f, kcal/mol:	-168.25
Dipole, Da:	6.4
IP(EA), eV:	-9.19(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylpropanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations