Geometry & MOs

Info

ID:

304789

PubChem CID:

124766175

Reduced:

SN2O4C20H20 (1)

Stoich.:

AB2C4D20E20 (1)

Weight, g/mol:

435.215806

ΔHf, kcal/mol:

-121.13

Dipole, Da:

4.09

IP(EA), eV:

 -9.23(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)[C@]1([C@H]2[C@@H]([C@H](N1)C3=CC=CS3)C(=O)N(C2=O)C4=CC=CC=C4)C

DOS

IR

Vibrations