Geometry & MOs

Info

ID:

414629

PubChem CID:

135087588

Reduced:

SO7N8C42H54 (1)

Stoich.:

AB7C8D42E54 (1)

Weight, g/mol:

304.142307

ΔHf, kcal/mol:

-246.96

Dipole, Da:

7.69

IP(EA), eV:

 -8.36(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(3-methoxy-2,2-dimethylpropyl)amino]-5-phenyl-1,2-oxazole-4-carboxylic acid

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)C5=CSC(=N5)C)C(C)C

DOS

IR

Vibrations