Geometry & MOs

Info

ID:

307309

PubChem CID:

125299542

Reduced:

SN4O4C23H24 (1)

Stoich.:

AB4C4D23E24 (1)

Weight, g/mol:

452.151826

ΔHf, kcal/mol:

-74.68

Dipole, Da:

3.25

IP(EA), eV:

 -8.9(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)CNC(=O)C2=C(SC3=C2CCC3)NC(=O)C4=NNC(=C5C=CC=CC5=O)C4

DOS

IR

Vibrations