Geometry & MOs

Info

ID:

304990

PubChem CID:

124766403

Reduced:

S2N3O6C25H33 (1)

Stoich.:

A2B3C6D25E33 (1)

Weight, g/mol:

435.215806

ΔHf, kcal/mol:

-214.78

Dipole, Da:

6.44

IP(EA), eV:

 -8.76(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,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[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(C[C@H]3CCCO3)CC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations