Geometry & MOs

Info

ID:

417268

PubChem CID:

135091889

Reduced:

SO7N8C42H52 (1)

Stoich.:

AB7C8D42E52 (1)

Weight, g/mol:

374.150267

ΔHf, kcal/mol:

-250.07

Dipole, Da:

3.79

IP(EA), eV:

 -8.74(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(triazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2C[C@@H](C[C@H]2C(=O)NCCCC[C@@H](C(=O)N1)NC(=O)CC3=CSC(=N3)C4=CC=CC=C4)O)CC(C)C)CC5=CNC6=CC=CC=C65

DOS

IR

Vibrations