Geometry & MOs

Info

ID:

177036

PubChem CID:

76127979

Reduced:

S2O5N10C23H28 (1)

Stoich.:

A2B5C10D23E28 (1)

Weight, g/mol:

749.489809

ΔHf, kcal/mol:

-16.01

Dipole, Da:

11.45

IP(EA), eV:

 -7.66(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-tert-butyl-N-[6-ethyl-2-[2-ethyl-6-[2-ethyl-4,5-dimethyl-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-3,5-dimethyloxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl]benzamide

Drug info:

PubChemData

Smile

CCON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CN4C=CN5C4=CCC(=N5)NCCN)C(=O)O

DOS

IR

Vibrations