Geometry & MOs

Info

ID:	194545
PubChem CID:	78553252
Reduced:	NSO2C9H11 (2)
Stoich.:	ABC2D9E11 (2)
Weight, g/mol:	411.0952
ΔH_f, kcal/mol:	-136.69
Dipole, Da:	3.36
IP(EA), eV:	-8.78(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(2,4-difluorophenyl)ethylamino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCCSC)CC3CCCO3

DOS

IR

Vibrations