Geometry & MOs

Info

ID:	429438
PubChem CID:	135169487
Reduced:	BrSO2N3C19H20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	419.177982
ΔH_f, kcal/mol:	-18.14
Dipole, Da:	5.21
IP(EA), eV:	-8.48(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-6-[[3-(1-methylpyrazol-4-yl)pyridin-4-yl]methoxy]-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations