Geometry & MOs

Info

ID:

166406

PubChem CID:

74685037

Reduced:

F3N4O4H17C21 (1)

Stoich.:

A3B4C4D17E21 (1)

Weight, g/mol:

508.166808

ΔHf, kcal/mol:

-256.19

Dipole, Da:

3.15

IP(EA), eV:

 -9.7(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[3,9-dioxo-1-(3-prop-2-enoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)NC2(C3C(NC2=O)N(C(=O)NC3=O)C4=CC=CC=C4)C(F)(F)F

DOS

IR

Vibrations