Geometry & MOs

Info

ID:

422367

PubChem CID:

135117700

Reduced:

O6N7C34H41 (1)

Stoich.:

A6B7C34D41 (1)

Weight, g/mol:

404.185983

ΔHf, kcal/mol:

-189.72

Dipole, Da:

5.19

IP(EA), eV:

 -9.43(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N1)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C)CC5=CC=CC=C5)C(C)C

DOS

IR

Vibrations