Geometry & MOs

Info

ID:	449777
PubChem CID:	135301342
Reduced:	N3O8C21H35 (1)
Stoich.:	A3B8C21D35 (1)
Weight, g/mol:	327.20323
ΔH_f, kcal/mol:	-377.58
Dipole, Da:	2.84
IP(EA), eV:	-9.78(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(5S)-5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-iminoazanium

Drug info:

PubChemData

Smile

C[C@@](CCCCNC(=O)OC(C)(C)C)(C(=O)ON1C(=O)CCC1=O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations