Geometry & MOs

Info

ID:	32523
PubChem CID:	7841511
Reduced:	ClNSO6C18H18 (1)
Stoich.:	ABCD6E18F18 (1)
Weight, g/mol:	330.121572
ΔH_f, kcal/mol:	-212.53
Dipole, Da:	5.13
IP(EA), eV:	-9.25(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)CCOC2=CC=CC=C2

DOS

IR

Vibrations