Geometry & MOs

Info

ID:

149291

PubChem CID:

53788963

Reduced:

SiS2O3N4C33H36 (1)

Stoich.:

AB2C3D4E33F36 (1)

Weight, g/mol:

558.230077

ΔHf, kcal/mol:

-55.37

Dipole, Da:

1.73

IP(EA), eV:

 -8.68(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[1-[[(7-methoxynaphthalen-2-yl)sulfonylamino]methyl]-4-methyl-6-oxo-5-[(3S)-pyrrolidin-3-yl]cyclohexa-2,4-dien-1-yl]methyl]benzenecarboximidamide

Drug info:

PubChemData

Smile

CC1C(=O)N(C(=NN=C2N(C(=O)C(S2)O[Si](CC3=CC=CC=C3)(CC4=CC=CC=C4)CC5=CC=CC=C5)C)S1)CC(=C)C

DOS

IR

Vibrations