Geometry & MOs

Info

ID:	29232
PubChem CID:	832461
Reduced:	ClNSO3C16H16 (1)
Stoich.:	ABCD3E16F16 (1)
Weight, g/mol:	284.116092
ΔH_f, kcal/mol:	-81.53
Dipole, Da:	3.91
IP(EA), eV:	-8.9(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,6R)-N-(1,3-dioxoisoindol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide

Drug info:

PubChemData

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C[C@@H](C1=CC2=C(C=C1Cl)OCCCO2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations