Geometry & MOs

Info

ID:

422108

PubChem CID:

135117220

Reduced:

O8N9C44H57 (1)

Stoich.:

A8B9C44D57 (1)

Weight, g/mol:

390.170333

ΔHf, kcal/mol:

-281.31

Dipole, Da:

13.35

IP(EA), eV:

 -8.44(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)CC3=CNC4=CC=CC=C43)C(=O)CCC5=NNC(=O)C=C5)C(C)C

DOS

IR

Vibrations