Geometry & MOs

Info

ID:	138207
PubChem CID:	52327826
Reduced:	ClSO2N4H5C8 (1)
Stoich.:	ABC2D4E5F8 (1)
Weight, g/mol:	395.148121
ΔH_f, kcal/mol:	46.72
Dipole, Da:	10.68
IP(EA), eV:	-8.93(-2.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,2S,3R,13R)-7-nitro-18-oxo-11,19-diazapentacyclo[11.7.1.02,11.05,10.014,19]henicosa-5(10),6,8,14,16-pentaene-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)[O-])SC1=NC(=NC2=C1N=C[N-]2)Cl

DOS

IR

Vibrations