Geometry & MOs

Info

ID:

186352

PubChem CID:

77423987

Reduced:

SN5O5C33H33 (1)

Stoich.:

AB5C5D33E33 (1)

Weight, g/mol:

585.160139

ΔHf, kcal/mol:

-61.95

Dipole, Da:

4.33

IP(EA), eV:

 -8.45(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-6-[[2-(4-chloro-3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]phenyl]pyridine-3,5-dicarbonitrile

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC(=C(C=C2)OC)OC)CSC3=C(C(=C(C(=N3)N)C#N)C4=CC=C(C=C4)CCC5COC(O5)(C)C)C#N

DOS

IR

Vibrations