Geometry & MOs

Info

ID:	429450
PubChem CID:	135169499
Reduced:	SF2O2N7C23H27 (1)
Stoich.:	AB2C2D7E23F27 (1)
Weight, g/mol:	404.107375
ΔH_f, kcal/mol:	-77.73
Dipole, Da:	4.24
IP(EA), eV:	-8.34(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-[[6-[(2-amino-3-chloropyridin-4-yl)methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CN=C/C(=C\N)/NC1=NC=CC(=N1)COC2=CC(=C3C(=C2)SC(=N3)NC4CCCC(C4)(F)F)OC

DOS

IR

Vibrations