Geometry & MOs

Info

ID:	418159
PubChem CID:	135103731
Reduced:	ON5C18H19 (1)
Stoich.:	AB5C18D19 (1)
Weight, g/mol:	363.125277
ΔH_f, kcal/mol:	54.7
Dipole, Da:	3.88
IP(EA), eV:	-9.29(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]quinoline-8-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)C)NC(C)C2=CC=CC=C2N3C=CC=N3

DOS

IR

Vibrations