Geometry & MOs

Info

ID:

158854

PubChem CID:

57244089

Reduced:

NSSiO11C29H49 (1)

Stoich.:

ABCD11E29F49 (1)

Weight, g/mol:

404.151826

ΔHf, kcal/mol:

-556.87

Dipole, Da:

2.7

IP(EA), eV:

 -8.95(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[2-[carbamimidoyl-(methylideneamino)amino]ethoxy]-5-methylphenyl] 2,5-dimethylbenzenesulfonate

Drug info:

PubChemData

Smile

CCOC(=O)C(CC(=S)[C@H](C)[C@@H]1[C@H](C(=O)N1C(C(=O)OCOC(=O)C(C)C)O)[C@@H](C)O[Si](C)(C)C(C)(C)C)C(=O)OCC

DOS

IR

Vibrations