Geometry & MOs

Info

ID:	427730
PubChem CID:	135161733
Reduced:	ClNSO3C12H18 (1)
Stoich.:	ABCD3E12F18 (1)
Weight, g/mol:	348.252526
ΔH_f, kcal/mol:	-116.98
Dipole, Da:	5.21
IP(EA), eV:	-8.86(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[[(Z)-3-aminobut-2-enylidene]amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate

Drug info:

PubChemData

Smile

CC1=C([C@H]2[C@@](S1=O)(C(=O)N2)[C@H](C(C)C)O)CCCl

DOS

IR

Vibrations