Geometry & MOs

Info

ID:	56919
PubChem CID:	22394886
Reduced:	SN3O6C21H31 (1)
Stoich.:	AB3C6D21E31 (1)
Weight, g/mol:	436.141656
ΔH_f, kcal/mol:	-232.1
Dipole, Da:	5.49
IP(EA), eV:	-9.62(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(7-cyano-3,4-dihydroxy-1-phenylheptan-2-yl)-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations