Geometry & MOs

Info

ID:	150680
PubChem CID:	53790374
Reduced:	ON4C10H18 (1)
Stoich.:	AB4C10D18 (1)
Weight, g/mol:	461.300205
ΔH_f, kcal/mol:	34.89
Dipole, Da:	4.26
IP(EA), eV:	-9.45(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2,6-diamino-N-[(2S)-1-[[(2S)-1-[[(2S,3S)-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]hexanamide

Drug info:

PubChemData

Smile

CCC1=NN(C=N1)CC(C(C)(C)C)N=O

DOS

IR

Vibrations