Geometry & MOs

Info

ID:

83285

PubChem CID:

49857401

Reduced:

FS2O4N5C23H32 (1)

Stoich.:

AB2C4D5E23F32 (1)

Weight, g/mol:

493.181747

ΔHf, kcal/mol:

-207.75

Dipole, Da:

7.25

IP(EA), eV:

 -9.05(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[2-[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)carbamoyl]-5-methylthiophen-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations