Geometry & MOs

Info

ID:	63368
PubChem CID:	26758184
Reduced:	SO3N7C23H27 (1)
Stoich.:	AB3C7D23E27 (1)
Weight, g/mol:	404.057527
ΔH_f, kcal/mol:	-18.97
Dipole, Da:	3.51
IP(EA), eV:	-8.61(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSCC(=O)N3CCN(CC3)C4=NC=CC=N4

DOS

IR

Vibrations