Geometry & MOs

Info

ID:	285462
PubChem CID:	104106649
Reduced:	NO2F3C9H18 (1)
Stoich.:	AB2C3D9E18 (1)
Weight, g/mol:	279.104148
ΔH_f, kcal/mol:	-277.41
Dipole, Da:	3.26
IP(EA), eV:	-9.25(1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(4-hydroxypentan-2-yl)-1,3-benzothiazole-6-carboxamide

Drug info:

PubChemData

Smile

CC(CC(C)O)NCCOCC(F)(F)F

DOS

IR

Vibrations