Geometry & MOs

Info

ID:

300439

PubChem CID:

121281644

Reduced:

SN5O6C28H37 (1)

Stoich.:

AB5C6D28E37 (1)

Weight, g/mol:

445.091926

ΔHf, kcal/mol:

-176.23

Dipole, Da:

5.96

IP(EA), eV:

 -9.15(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

carbonic acid;N-[3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]cyclohexene-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)C3CCN3C4CCN(CC4)CCC(=O)O)C(=O)NC5(CC5)C#N

DOS

IR

Vibrations