Geometry & MOs

Info

ID:

180552

PubChem CID:

76652483

Reduced:

ClSiN2S2O6C28H33 (1)

Stoich.:

ABC2D2E6F28G33 (1)

Weight, g/mol:

500.26104

ΔHf, kcal/mol:

-226.61

Dipole, Da:

7.29

IP(EA), eV:

 -9.11(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[3-(ethoxymethyl)-3-[4-[4-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl]cyclopentyl]carbamate

Drug info:

PubChemData

Smile

CC(C1=C(C(=CC=C1)O[Si](C)(C)C(C)(C)C)Cl)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)S(=O)(=O)C)C(=O)OC

DOS

IR

Vibrations