Geometry & MOs

Info

ID:

186355

PubChem CID:

77423990

Reduced:

FSO4N5H26C29 (1)

Stoich.:

ABC4D5E26F29 (1)

Weight, g/mol:

613.199505

ΔHf, kcal/mol:

-69.52

Dipole, Da:

4.65

IP(EA), eV:

 -8.9(-1.09)

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-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]pyridine-3,5-dicarbonitrile

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=C(C=C(C=C2)OC)F)CSC3=C(C(=C(C(=N3)N)C#N)C4=CC=C(C=C4)CCC(CO)O)C#N

DOS

IR

Vibrations