Geometry & MOs

Info

ID:	62604
PubChem CID:	26725256
Reduced:	SN3O5C20H25 (1)
Stoich.:	AB3C5D20E25 (1)
Weight, g/mol:	456.99432
ΔH_f, kcal/mol:	-164.12
Dipole, Da:	6.92
IP(EA), eV:	-9.56(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N'-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propanoyl]-1,1-dioxothiolane-3-carbohydrazide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@@H]1C(=O)NNC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations