Geometry & MOs

Info

ID:	429451
PubChem CID:	135169500
Reduced:	ClSO2N4C19H21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	404.107375
ΔH_f, kcal/mol:	-31.92
Dipole, Da:	4.59
IP(EA), eV:	-8.45(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

DOS

IR

Vibrations