Geometry & MOs

Info

ID:

440847

PubChem CID:

135231851

Reduced:

SN4O4C26H46 (1)

Stoich.:

AB4C4D26E46 (1)

Weight, g/mol:

512.126206

ΔHf, kcal/mol:

-234.46

Dipole, Da:

5.17

IP(EA), eV:

 -9.31(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(13R)-13-(2-cyanopropan-2-ylsulfonylmethyl)-4-prop-1-ynyl-8-thiatetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaen-13-yl]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CCCC1=CSC(=N1)CN)CCCN(C2CCCCC2)C(=O)OC(C)(C)C

DOS

IR

Vibrations