Geometry & MOs

Info

ID:	65217
PubChem CID:	29204627
Reduced:	ClN2O3H25C26 (1)
Stoich.:	AB2C3D25E26 (1)
Weight, g/mol:	463.060484
ΔH_f, kcal/mol:	-45.6
Dipole, Da:	3.18
IP(EA), eV:	-8.19(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N'-[(2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanoyl]benzohydrazide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)[C@@H](CNC(=O)C2=CC=CC=C2Cl)C3=CNC4=CC=CC=C43)OC

DOS

IR

Vibrations