Geometry & MOs

Info

ID:	429464
PubChem CID:	135169513
Reduced:	SF3O3N4C20H21 (1)
Stoich.:	AB3C3D4E20F21 (1)
Weight, g/mol:	438.091725
ΔH_f, kcal/mol:	-224.38
Dipole, Da:	3.28
IP(EA), eV:	-8.44(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[[6-[(2-amino-3-chloropyridin-4-yl)methoxy]-1,3-benzothiazol-2-yl]amino]-2,3-dihydro-1H-inden-2-ol

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@H](C1)NC2=NC3=C(S2)C=C(C=C3)OCC4=C(C(=NC=C4)N)OC(F)(F)F)O

DOS

IR

Vibrations