Geometry & MOs

Info

ID:	358092
PubChem CID:	127295637
Reduced:	SO2N4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	326.177647
ΔH_f, kcal/mol:	-11.83
Dipole, Da:	8.5
IP(EA), eV:	-8.76(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-pyrrolidin-1-ylazepane

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)S(=O)(=O)C3=CN(N=C3)C4=CC=CC=C4

DOS

IR

Vibrations