Geometry & MOs

Info

ID:

307308

PubChem CID:

125299540

Reduced:

OS3N4C13H14 (1)

Stoich.:

AB3C4D13E14 (1)

Weight, g/mol:

452.151826

ΔHf, kcal/mol:

78.4

Dipole, Da:

3.19

IP(EA), eV:

 -8.74(-2.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(6-oxocyclohexa-2,4-dien-1-ylidene)-N-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-1,4-dihydropyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2=C(CO1)SC3=N[C@H](N4C(=C23)N=NC4=S)SC)C

DOS

IR

Vibrations