Geometry & MOs

Info

ID:	151526
PubChem CID:	53837759
Reduced:	ClSO4N8C27H33 (1)
Stoich.:	ABC4D8E27F33 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-27.99
Dipole, Da:	5.63
IP(EA), eV:	-9.31(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-2-oxatricyclo[7.3.1.05,13]tridec-3-ene

Drug info:

PubChemData

Smile

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)S(=O)(=O)N(CC)[C@@H](CC3=CC=CC=C3)C(=O)NC4=NNN=N4)CO)Cl

DOS

IR

Vibrations