Geometry & MOs

Info

ID:	404864
PubChem CID:	135071533
Reduced:	OC13H20 (1)
Stoich.:	AB13C20 (1)
Weight, g/mol:	470.27405
ΔH_f, kcal/mol:	-15.98
Dipole, Da:	2.62
IP(EA), eV:	-9.13(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[[(2S)-4-amino-2-[[(2S)-3-methyl-2-(prop-2-enoxycarbonylamino)butanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CC(=C=C(C#CCCO)C(C)(C)C)C

DOS

IR

Vibrations