Geometry & MOs

Info

ID:	429514
PubChem CID:	135169563
Reduced:	ClF3N8H14C22 (1)
Stoich.:	AB3C8D14E22 (1)
Weight, g/mol:	389.096476
ΔH_f, kcal/mol:	65.51
Dipole, Da:	9.28
IP(EA), eV:	-9.02(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=C(C1=C(N(N=C1)C2=NC=CC3=CC=CC=C32)C(F)(F)F)NC4=CC(=C(N=C4)N5N=CC=N5)Cl

DOS

IR

Vibrations