Geometry & MOs

Info

ID:	348702
PubChem CID:	127273813
Reduced:	SO2N6C17H26 (1)
Stoich.:	AB2C6D17E26 (1)
Weight, g/mol:	275.076219
ΔH_f, kcal/mol:	-25.01
Dipole, Da:	6.62
IP(EA), eV:	-8.22(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,2-dimethylimidazol-4-yl)sulfonyl-1,4-thiazepane

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=NC=C(C=C2)CNS(=O)(=O)C3=CN(C(=N3)C)C

DOS

IR

Vibrations