Geometry & MOs

Info

ID:	56933
PubChem CID:	22394908
Reduced:	SN3O6C20H29 (1)
Stoich.:	AB3C6D20E29 (1)
Weight, g/mol:	452.13657
ΔH_f, kcal/mol:	-229.96
Dipole, Da:	4.02
IP(EA), eV:	-9.5(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-cyano-3,4-dihydroxy-1-(4-hydroxyphenyl)hexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCCC(C(C(CC1=CC=CC=C1)NC(=O)C2=COC(=N2)N(C)S(=O)(=O)C)O)O

DOS

IR

Vibrations