Geometry & MOs

Info

ID:

193684

PubChem CID:

78423435

Reduced:

SO2N3C12H16 (1)

Stoich.:

AB2C3D12E16 (1)

Weight, g/mol:

237.05854

ΔHf, kcal/mol:

-10.18

Dipole, Da:

12.95

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.853460

Charge, e:

 -1

Chem-info

IUPAC name:

2-(thiophene-2-carbonyl)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CSC2=NC(=NC(=O)C12)C[NH+]3CCOCC3

DOS

IR

Vibrations