Geometry & MOs

Info

ID:	56926
PubChem CID:	22394898
Reduced:	SN5O6C16H19 (1)
Stoich.:	AB5C6D16E19 (1)
Weight, g/mol:	457.134128
ΔH_f, kcal/mol:	-164.4
Dipole, Da:	6.22
IP(EA), eV:	-10.01(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3,4-dihydroxy-1-(4-hydroxyphenyl)octan-2-yl]-2-(methanesulfonamido)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=NC(=CO1)C(=O)NC(CC2=CC=NC=C2)C(C(CC#N)O)O

DOS

IR

Vibrations