Geometry & MOs

Info

ID:	79394
PubChem CID:	49748438
Reduced:	FS2O3N4H21C24 (1)
Stoich.:	AB2C3D4E21F24 (1)
Weight, g/mol:	497.087927
ΔH_f, kcal/mol:	-65.45
Dipole, Da:	5.15
IP(EA), eV:	-8.48(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)N2C=CC=C2)C(=O)NC3=CC4=C(CCCN4S(=O)(=O)C5=CC=C(C=C5)F)C=C3

DOS

IR

Vibrations