Geometry & MOs

Info

ID:	358088
PubChem CID:	127295633
Reduced:	SN3O3C20H29 (1)
Stoich.:	AB3C3D20E29 (1)
Weight, g/mol:	373.182398
ΔH_f, kcal/mol:	-106.22
Dipole, Da:	9.37
IP(EA), eV:	-8.47(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-5-(3-pyrrolidin-1-ylazepan-1-yl)sulfonylquinoline

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)S(=O)(=O)C3=CC=C(C=C3)N4CCCC4=O

DOS

IR

Vibrations