Geometry & MOs

Info

ID:	429512
PubChem CID:	135169561
Reduced:	ClF3O3N5H15C21 (1)
Stoich.:	AB3C3D5E15F21 (1)
Weight, g/mol:	389.096476
ΔH_f, kcal/mol:	-149.81
Dipole, Da:	6.86
IP(EA), eV:	-9.45(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(C=N1)NC(=O)C2=C(N(NC2)C3=CN=CC4=CC=CC=C43)C(F)(F)F)Cl

DOS

IR

Vibrations