Geometry & MOs

Info

ID:

186351

PubChem CID:

77423986

Reduced:

SF3O3N5H24C29 (1)

Stoich.:

AB3C3D5E24F29 (1)

Weight, g/mol:

611.22024

ΔHf, kcal/mol:

-141.5

Dipole, Da:

4.44

IP(EA), eV:

 -9.3(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-6-[[2-(3,4-dimethoxyphenyl)-5-methyl-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)C(F)(F)F)CSC3=C(C(=C(C(=N3)N)C#N)C4=CC=C(C=C4)CCC(CO)O)C#N

DOS

IR

Vibrations