Geometry & MOs

Info

ID:

43911

PubChem CID:

10321972

Reduced:

NSO6C24H29 (1)

Stoich.:

ABC6D24E29 (1)

Weight, g/mol:

459.194026

ΔHf, kcal/mol:

-221.43

Dipole, Da:

8.03

IP(EA), eV:

 -9.55(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5E)-N,N-dimethyl-5-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-2,5-dihydro-1,2,5-thiadiazol-3-yl]imino]-6-oxocyclohexa-1,3-diene-1-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CC=CC=C1)CS(=O)(=O)C2CCN(CC2)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations