Geometry & MOs

Info

ID:	46410
PubChem CID:	10524292
Reduced:	ClNOSF4H10C17 (1)
Stoich.:	ABCDE4F10G17 (1)
Weight, g/mol:	387.105978
ΔH_f, kcal/mol:	-163.76
Dipole, Da:	0.28
IP(EA), eV:	-9.45(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,3-benzothiazol-2-ylmethoxy)-2-chlorophenyl]-cyclohexylmethanol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)C2=NC=C(S2)C(CCl)(C3=C(C=C(C=C3)F)F)O

DOS

IR

Vibrations