Geometry & MOs

Info

ID:	56895
PubChem CID:	22394774
Reduced:	S2N4O6C19H24 (1)
Stoich.:	A2B4C6D19E24 (1)
Weight, g/mol:	475.090549
ΔH_f, kcal/mol:	-188.94
Dipole, Da:	7.93
IP(EA), eV:	-9.07(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3,4-dihydroxy-1-(4-hydroxyphenyl)-6-methylsulfanylhexan-2-yl]-2-(methanesulfonamido)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(C1=NC(=CS1)C(=O)NC(CC2=CC=C(C=C2)O)C(C(CCC#N)O)O)S(=O)(=O)C

DOS

IR

Vibrations