Geometry & MOs

Info

ID:	237240
PubChem CID:	92717989
Reduced:	ClSN2F3O4H20C21 (1)
Stoich.:	ABC2D3E4F20G21 (1)
Weight, g/mol:	394.092204
ΔH_f, kcal/mol:	-328.19
Dipole, Da:	2.59
IP(EA), eV:	-8.75(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)propan-1-one

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=C(C=C1)Cl)C(F)(F)F)OC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

DOS

IR

Vibrations