Geometry & MOs

Info

ID:	138020
PubChem CID:	52301071
Reduced:	O2N7H15C19 (1)
Stoich.:	A2B7C15D19 (1)
Weight, g/mol:	366.239282
ΔH_f, kcal/mol:	82.14
Dipole, Da:	2.62
IP(EA), eV:	-8.56(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl (2S,3aS,7aS)-1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-1-ium-2-carboxylate

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C3=C(C=NN3)[C@H]4N=C(N=C5N4C6=CC=CC=C6N5)N

DOS

IR

Vibrations