Geometry & MOs

Info

ID:

159919

PubChem CID:

57298452

Reduced:

NSO3C6H10 (1)

Stoich.:

ABC3D6E10 (1)

Weight, g/mol:

177.045964

ΔHf, kcal/mol:

-117.61

Dipole, Da:

5.12

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.765714

Charge, e:

 0

Chem-info

IUPAC name:

2-oxoazepane-1-sulfinic acid

Drug info:

PubChemData

Smile

C1CCC(=O)N(CC1)S(=O)[O-]

DOS

IR

Vibrations