Geometry & MOs

Info

ID:	147120
PubChem CID:	53786773
Reduced:	NO2C7H12 (2)
Stoich.:	AB2C7D12 (2)
Weight, g/mol:	496.188623
ΔH_f, kcal/mol:	-152.32
Dipole, Da:	2.85
IP(EA), eV:	-9.31(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-4-[3-(4-butyl-5-oxotetrazolidin-1-yl)sulfonylcyclohexyl]sulfonyltetrazolidin-5-one

Drug info:

PubChemData

Smile

CCC(=O)C(=O)C(CCCCCN)(C(=O)C(=O)CC)N

DOS

IR

Vibrations