Geometry & MOs

Info

ID:

433459

PubChem CID:

135173596

Reduced:

N3O4C19H20 (2)

Stoich.:

A3B4C19D20 (2)

Weight, g/mol:

410.166414

ΔHf, kcal/mol:

-165.36

Dipole, Da:

7.87

IP(EA), eV:

 -8.94(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[(1R,4S)-4-(cyclopropylsulfanylamino)cyclopent-2-en-1-yl]methoxy]-2-(1,3-dihydroisoindol-2-ylmethyl)pyran-4-one

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3OCCOCCOCCOCCN4C=C(C(=N4)C5=CC=NC=C5)C6=CC7=C(C=C6)/C(=N/O)/CC7

DOS

IR

Vibrations