Geometry & MOs

Info

ID:	233924
PubChem CID:	92192468
Reduced:	FSN2O2C23H29 (1)
Stoich.:	ABC2D2E23F29 (1)
Weight, g/mol:	432.056761
ΔH_f, kcal/mol:	-107.7
Dipole, Da:	3.24
IP(EA), eV:	-8.43(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[6-[[(1R)-1-carboxyethyl]amino]-2,2,3,3,4,4,5,5-octafluoro-6-oxohexanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H](C(C)C)N(CC1=CC=C(C=C1)F)C(=S)NC2=CC=CC(=C2)C

DOS

IR

Vibrations