Geometry & MOs

Info

ID:

415250

PubChem CID:

135088242

Reduced:

SO5N6C37H48 (1)

Stoich.:

AB5C6D37E48 (1)

Weight, g/mol:

418.201634

ΔHf, kcal/mol:

-187.46

Dipole, Da:

4.98

IP(EA), eV:

 -9.45(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carbonyl]-N,4-dimethylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=C(S1)C(=O)N2CCCCNC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C3=CC=C(C2)C=C3)CC4=CC=CC=C4)CC(C)C)C)C

DOS

IR

Vibrations