Geometry & MOs

Info

ID:

160215

PubChem CID:

57309561

Reduced:

NSiO13C63H109 (1)

Stoich.:

ABC13D63E109 (1)

Weight, g/mol:

326.068491

ΔHf, kcal/mol:

-659.89

Dipole, Da:

6.98

IP(EA), eV:

 -8.58(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(4-hydroxy-2-nitrophenyl)methyl]-N,N-dimethylimidazole-1-sulfonamide

Drug info:

PubChemData

Smile

CCCCC(CCCC)(CCCC)[Si](C)(CCCC)OC1CC(=O)C(C=C(CC(CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C1C)C(=CC4CCC(C(C4)OC)OCC=O)C)O)C)OC)OC)C)C)CC

DOS

IR

Vibrations