Geometry & MOs

Info

ID:	358086
PubChem CID:	127295631
Reduced:	SN2O2C12H24 (1)
Stoich.:	AB2C2D12E24 (1)
Weight, g/mol:	373.182398
ΔH_f, kcal/mol:	-93.9
Dipole, Da:	4.37
IP(EA), eV:	-8.46(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-8-(3-pyrrolidin-1-ylazepan-1-yl)sulfonylquinoline

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCCCC(C1)N2CCCC2

DOS

IR

Vibrations