Geometry & MOs

Info

ID:	269931
PubChem CID:	103620148
Reduced:	ClSN3O3H12C13 (1)
Stoich.:	ABC3D3E12F13 (1)
Weight, g/mol:	387.04437
ΔH_f, kcal/mol:	-10.29
Dipole, Da:	7.33
IP(EA), eV:	-9.4(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-iodo-4-nitrophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])NCCC2=CC=C(S2)Cl

DOS

IR

Vibrations