Geometry & MOs

Info

ID:	56908
PubChem CID:	22394855
Reduced:	S2N3O7C18H25 (1)
Stoich.:	A2B3C7D18E25 (1)
Weight, g/mol:	455.172621
ΔH_f, kcal/mol:	-256.06
Dipole, Da:	4.74
IP(EA), eV:	-8.77(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSCCC(C(C(CC1=CC=C(C=C1)O)NC(=O)C2=COC(=N2)NS(=O)(=O)C)O)O

DOS

IR

Vibrations