Geometry & MOs

Info

ID:

17041

PubChem CID:

482742

Reduced:

SN3O8C29H31 (1)

Stoich.:

AB3C8D29E31 (1)

Weight, g/mol:

581.183186

ΔHf, kcal/mol:

-185.89

Dipole, Da:

4.11

IP(EA), eV:

 -8.95(-2.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[1-[4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-1,3-dioxin-5-yl]propyl]phenyl]-5-nitropyridine-2-sulfonamide

Drug info:

PubChemData

Smile

CCCC1(OC(=C(C(=O)O1)C(CC)C2=CC(=CC=C2)NS(=O)(=O)C3=NC=C(C=C3)[N+](=O)[O-])O)CCC4=CC=CC=C4

DOS

IR

Vibrations