Geometry & MOs

Info

ID:	228176
PubChem CID:	87563599
Reduced:	SO3N5C23H25 (1)
Stoich.:	AB3C5D23E25 (1)
Weight, g/mol:	301.052112
ΔH_f, kcal/mol:	-25.33
Dipole, Da:	4.34
IP(EA), eV:	-9.0(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(2-methoxypyridin-3-yl)-1,3-benzothiazol-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NO1)CCNC(=O)NC2=NC3=C(S2)C=C(C=C3)C4=CC=CC(=C4)CO

DOS

IR

Vibrations