Geometry & MOs

Info

ID:	420601
PubChem CID:	135114262
Reduced:	N3O4C18H21 (1)
Stoich.:	A3B4C18D21 (1)
Weight, g/mol:	397.11077
ΔH_f, kcal/mol:	-111.08
Dipole, Da:	5.33
IP(EA), eV:	-8.95(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-7-fluoro-2-oxo-1H-quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=C4C(=CC=C3)OCCO4

DOS

IR

Vibrations