Geometry & MOs

Info

ID:

417646

PubChem CID:

135102383

Reduced:

O5N6C29H46 (1)

Stoich.:

A5B6C29D46 (1)

Weight, g/mol:

345.194008

ΔHf, kcal/mol:

-233.44

Dipole, Da:

7.09

IP(EA), eV:

 -9.11(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4aS,8aS)-4a-(3,6-dihydro-2H-pyran-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[4,3-b]pyridin-1-yl]-(2,5-dimethylfuran-3-yl)methanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N[C@H](CNCC(=O)N[C@H](C(=O)N([C@H](C(=O)N1)C)C)CC(C)C)CC2=CC=CC=C2)C(C)C

DOS

IR

Vibrations