Geometry & MOs

Info

ID:

222819

PubChem CID:

85332626

Reduced:

SN3O7H23C28 (1)

Stoich.:

AB3C7D23E28 (1)

Weight, g/mol:

557.267191

ΔHf, kcal/mol:

-193.23

Dipole, Da:

6.71

IP(EA), eV:

 -8.97(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[2-(2-ethyl-9-methyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadecan-13-yl)ethoxy]naphthalen-1-yl]sulfonylacetamide

Drug info:

PubChemData

Smile

C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)C=C3C(=O)NC(=CC4=CC=C(C=C4)OC(=O)CCCC(=O)O)C(=O)N3

DOS

IR

Vibrations