Geometry & MOs

Info

ID:

186354

PubChem CID:

77423989

Reduced:

SO4N5H27C30 (1)

Stoich.:

AB4C5D27E30 (1)

Weight, g/mol:

559.168954

ΔHf, kcal/mol:

-24.89

Dipole, Da:

5.06

IP(EA), eV:

 -9.23(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-4-[4-(3,4-dihydroxybutyl)phenyl]-6-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]pyridine-3,5-dicarbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations