Geometry & MOs

Info

ID:	231991
PubChem CID:	87575078
Reduced:	C39H80 (1)
Stoich.:	A39B80 (1)
Weight, g/mol:	457.049919
ΔH_f, kcal/mol:	-201.03
Dipole, Da:	0.08
IP(EA), eV:	-10.6(3.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(5-methoxypyridin-3-yl)-1,3-benzothiazol-2-yl]carbamic acid;phenyl carbonochloridate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCC(C)CCCCCCCCCCCCCCCCCC

DOS

IR

Vibrations