Geometry & MOs

Info

ID:	189843
PubChem CID:	77914006
Reduced:	ON3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	574.351255
ΔH_f, kcal/mol:	16.96
Dipole, Da:	3.65
IP(EA), eV:	-9.2(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-[[2-[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-methylpentanoyl]amino]propanoylamino]-4-methylsulfanylbutanoyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

CCCC1=NC=CN=C1C=[N+](C(C)(C)C)[O-]

DOS

IR

Vibrations