Geometry & MOs

Info

ID:

440199

PubChem CID:

135230109

Reduced:

NSO4C12H23 (1)

Stoich.:

ABC4D12E23 (1)

Weight, g/mol:

685.311163

ΔHf, kcal/mol:

-222.78

Dipole, Da:

9.42

IP(EA), eV:

 -9.72(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-methylidene-5-[[(7S,8E,10E)-5-methylidene-2-oxo-3-azatricyclo[10.4.0.03,7]hexadeca-1(12),8,10,13,15-pentaen-15-yl]oxymethyl]pyrazin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]propanamide

Drug info:

PubChemData

Smile

CC(C)(CCOC(C)(C)CCC(=O)O)NC(=O)S

DOS

IR

Vibrations