Geometry & MOs

Info

ID:	63415
PubChem CID:	26758283
Reduced:	SN2O5H16C18 (1)
Stoich.:	AB2C5D16E18 (1)
Weight, g/mol:	411.062198
ΔH_f, kcal/mol:	-145.28
Dipole, Da:	6.05
IP(EA), eV:	-9.06(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC1=CC=CS1)OC(=O)CN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations