Geometry & MOs

Info

ID:

304746

PubChem CID:

124766122

Reduced:

N3O4C24H33 (1)

Stoich.:

A3B4C24D33 (1)

Weight, g/mol:

427.247107

ΔHf, kcal/mol:

-145.31

Dipole, Da:

1.15

IP(EA), eV:

 -9.73(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)[C@@H]2[C@]34C=C[C@@H](O3)[C@H]([C@@H]4C(=O)N2C5CCCC5)C(=O)NC6CC6

DOS

IR

Vibrations