Geometry & MOs

Info

ID:	157397
PubChem CID:	56423651
Reduced:	SN2F3O6C19H19 (1)
Stoich.:	AB2C3D6E19F19 (1)
Weight, g/mol:	415.156577
ΔH_f, kcal/mol:	-353.6
Dipole, Da:	5.88
IP(EA), eV:	-8.95(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-oxo-3-[1-[4-(phenylcarbamoylamino)phenyl]ethylamino]propyl]sulfanylacetate

Drug info:

PubChemData

Smile

C1COC2=C(C=CC=C2O1)CNC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations