Geometry & MOs

Info

ID:	63379
PubChem CID:	26758210
Reduced:	SO4N5C19H25 (1)
Stoich.:	AB4C5D19E25 (1)
Weight, g/mol:	448.00701
ΔH_f, kcal/mol:	-98.06
Dipole, Da:	3.71
IP(EA), eV:	-9.04(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NCCOC)C(=O)N2CCN(CC2)C3=NC=CC=N3

DOS

IR

Vibrations