Geometry & MOs

Info

ID:	311341
PubChem CID:	126590553
Reduced:	FN6O9C20H31 (1)
Stoich.:	AB6C9D20E31 (1)
Weight, g/mol:	451.150326
ΔH_f, kcal/mol:	-413.02
Dipole, Da:	2.64
IP(EA), eV:	-10.1(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(1S)-1-carboxy-3-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propyl]carbamoylamino]pentanedioic acid

Drug info:

PubChemData

Smile

C1=C(N=NN1COCCF)CCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O

DOS

IR

Vibrations