Geometry & MOs

Info

ID:

311951

PubChem CID:

126599433

Reduced:

ON3C14H15 (3)

Stoich.:

AB3C14D15 (3)

Weight, g/mol:

470.09535

ΔHf, kcal/mol:

56.26

Dipole, Da:

3.84

IP(EA), eV:

 -8.72(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (6S)-6-[5-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C1=NC=C(N1)C2=CC(=CC=C2)C3=CN=C(O3)C4=CN=C(N4)[C@@H]5C(=C)CCN5C(=O)[C@@H](C6=CC=CC=C6)N(C)C)NC(=O)C(C7=CC=CC=C7)N(C)C

DOS

IR

Vibrations