Geometry & MOs

Info

ID:	228765
PubChem CID:	87565704
Reduced:	SN3O3C16H23 (1)
Stoich.:	AB3C3D16E23 (1)
Weight, g/mol:	364.105705
ΔH_f, kcal/mol:	-99.81
Dipole, Da:	2.73
IP(EA), eV:	-8.85(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-(3-ethynyl-7,8-difluoroquinolin-2-yl)oxy-2-methylsulfanylacetamide

Drug info:

PubChemData

Smile

CCOC(=O)CCN1C=CC(=N1)/C=C/2\CNCC[C@@H]2SC(=O)C

DOS

IR

Vibrations