Geometry & MOs

Info

ID:	63374
PubChem CID:	26758198
Reduced:	SN5O5C19H25 (1)
Stoich.:	AB5C5D19E25 (1)
Weight, g/mol:	388.087078
ΔH_f, kcal/mol:	-130.18
Dipole, Da:	3.78
IP(EA), eV:	-9.0(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate

Drug info:

PubChemData

Smile

COCCNS(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)OC

DOS

IR

Vibrations