Geometry & MOs

Info

ID:

83445

PubChem CID:

49857601

Reduced:

FS2N4O4C23H31 (1)

Stoich.:

AB2C4D4E23F31 (1)

Weight, g/mol:

544.138104

ΔHf, kcal/mol:

-212.97

Dipole, Da:

6.91

IP(EA), eV:

 -8.85(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[[2-[(4R)-2-[4-[(5-chloro-1,3-thiazol-2-yl)carbamoyl]-5-methylthiophen-2-yl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-ethylamino]acetate

Drug info:

PubChemData

Smile

CCCN(CC(=O)N1CCCC1C2=CC(=C(S2)C)C(=O)NC3=NC=C(S3)F)C(=O)OC(C)(C)C

DOS

IR

Vibrations