Geometry & MOs

Info

ID:	420443
PubChem CID:	135113181
Reduced:	NOC11H13 (2)
Stoich.:	ABC11D13 (2)
Weight, g/mol:	393.135842
ΔH_f, kcal/mol:	-56.55
Dipole, Da:	6.17
IP(EA), eV:	-8.34(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methoxyquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)CC(=O)NCCCC3CCOC3)C4=CC=CC=C41

DOS

IR

Vibrations