Geometry & MOs

Info

ID:	83142
PubChem CID:	49857201
Reduced:	FSN2O2C11H14 (2)
Stoich.:	ABC2D2E11F14 (2)
Weight, g/mol:	496.161426
ΔH_f, kcal/mol:	-239.06
Dipole, Da:	7.92
IP(EA), eV:	-8.78(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[2-[4-[(5-fluoro-1,3-thiazol-2-yl)carbamoyl]-5-methylthiophen-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-pentylamino]acetic acid

Drug info:

PubChemData

Smile

CCCCCN(CC(=O)N1C[C@@H](C[C@H]1C2=CC(=C(S2)C)C(=O)NC3=NC=C(S3)F)F)CC(=O)O

DOS

IR

Vibrations