Geometry & MOs

Info

ID:

83284

PubChem CID:

49857400

Reduced:

FS2O4N5C22H30 (1)

Stoich.:

AB2C4D5E22F30 (1)

Weight, g/mol:

525.187975

ΔHf, kcal/mol:

-200.95

Dipole, Da:

9.26

IP(EA), eV:

 -9.21(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-ethyl-N-[2-[(4R)-2-[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)carbamoyl]-5-methylthiophen-2-yl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

CCC1=NSC(=N1)NC(=O)C2=C(SC(=C2)C3C[C@H](CN3C(=O)[C@H](C)NC(=O)OC(C)(C)C)F)C

DOS

IR

Vibrations