Geometry & MOs

Info

ID:	223384
PubChem CID:	85334946
Reduced:	O2F3N4C12H13 (1)
Stoich.:	A2B3C4D12E13 (1)
Weight, g/mol:	299.184506
ΔH_f, kcal/mol:	-173.8
Dipole, Da:	4.66
IP(EA), eV:	-9.39(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-4-[(2-amino-3-cyclohexylpropanoyl)amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1C(NNC1NC(=O)CC(=O)C(F)(F)F)C2=CC=NC=C2

DOS

IR

Vibrations