Geometry & MOs

Info

ID:

304991

PubChem CID:

124766404

Reduced:

N3O4C25H29 (1)

Stoich.:

A3B4C25D29 (1)

Weight, g/mol:

435.215806

ΔHf, kcal/mol:

-99.27

Dipole, Da:

4.35

IP(EA), eV:

 -9.61(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CCN1[C@H]([C@@]23C=C[C@@H](O2)[C@H]([C@H]3C1=O)C(=O)NCC4=CC=CC=C4)C(=O)NC5CCCC5

DOS

IR

Vibrations