Geometry & MOs

Info

ID:

176954

PubChem CID:

76116669

Reduced:

S2N7O7H20C22 (1)

Stoich.:

A2B7C7D20E22 (1)

Weight, g/mol:

364.228345

ΔHf, kcal/mol:

-104.93

Dipole, Da:

6.94

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.850678

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-methylsulfonyloxyhexadecanoate

Drug info:

PubChemData

Smile

CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC5=CC=C(N5C=C4)C(=O)O)C(=O)O

DOS

IR

Vibrations