Geometry & MOs

Info

ID:	320146
PubChem CID:	126658481
Reduced:	ClON5H12C18 (1)
Stoich.:	ABC5D12E18 (1)
Weight, g/mol:	466.290368
ΔH_f, kcal/mol:	150.22
Dipole, Da:	7.22
IP(EA), eV:	-9.44(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-(diaminomethylideneamino)-2-[[5-methyl-2-[3-methyl-1-(4-methylpentanoylamino)butyl]-1,3-oxazole-4-carbonyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

C1C=CC=CC1C2=C(C=C(C=C2)C#N)OC3=NN4C(=NN=C4Cl)C=C3

DOS

IR

Vibrations