Geometry & MOs

Info

ID:	449647
PubChem CID:	135300299
Reduced:	N2O3C9H16 (1)
Stoich.:	A2B3C9D16 (1)
Weight, g/mol:	446.201279
ΔH_f, kcal/mol:	-119.38
Dipole, Da:	1.71
IP(EA), eV:	-9.63(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-[[(2S)-4-carboxy-1-[[2-[[(2R)-4-carboxybutan-2-yl]amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]amino]-2-(methylamino)-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)N1CC2CCN(C2C1)O

DOS

IR

Vibrations