Geometry & MOs

Info

ID:	429540
PubChem CID:	135169589
Reduced:	ClOSF3N8H20C24 (1)
Stoich.:	ABCD3E8F20G24 (1)
Weight, g/mol:	418.14749
ΔH_f, kcal/mol:	-18.14
Dipole, Da:	5.05
IP(EA), eV:	-8.72(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSCCC1=NN(N=C1)C2=C(C=C(C=N2)NC(=O)/C(=C/N)/C(=NC3=CC=CC4=C3C=CC=N4)C(F)(F)F)Cl

DOS

IR

Vibrations