Geometry & MOs

Info

ID:	368166
PubChem CID:	127327717
Reduced:	SN2O2C12H26 (1)
Stoich.:	AB2C2D12E26 (1)
Weight, g/mol:	299.166748
ΔH_f, kcal/mol:	-113.57
Dipole, Da:	3.74
IP(EA), eV:	-9.38(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-1-(1-methylimidazol-4-yl)sulfonylazepane

Drug info:

PubChemData

Smile

CC(C)(C)C1CCCN(CC1)S(=O)(=O)N(C)C

DOS

IR

Vibrations