Geometry & MOs

Info

ID:

214629

PubChem CID:

85083304

Reduced:

SiO2C16H28 (2)

Stoich.:

AB2C16D28 (2)

Weight, g/mol:

560.139738

ΔHf, kcal/mol:

-310.72

Dipole, Da:

2.54

IP(EA), eV:

 -8.72(0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2-aminoacetyl)amino]-N-[3-(2-chlorophenyl)-5-oxo-7-phenyl-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-6-yl]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)C=CC(C)(C#CC=C(C)C2CO[Si](O[Si](O2)(C(C)C)C(C)C)(C(C)C)C(C)C)O

DOS

IR

Vibrations