Geometry & MOs

Info

ID:

304825

PubChem CID:

124766212

Reduced:

N3O4C23H35 (1)

Stoich.:

A3B4C23D35 (1)

Weight, g/mol:

417.262757

ΔHf, kcal/mol:

-187.29

Dipole, Da:

3.44

IP(EA), eV:

 -9.62(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,5R,6S,7R)-2-N-tert-butyl-6-N-cyclohexyl-4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

Drug info:

PubChemData

Smile

CC(C)N1[C@@H]([C@@]23C=C[C@@H](O2)[C@H]([C@H]3C1=O)C(=O)NC4CCCCC4)C(=O)NC(C)(C)C

DOS

IR

Vibrations