Geometry & MOs

Info

ID:	46780
PubChem CID:	10527260
Reduced:	SN2O8C19H28 (1)
Stoich.:	AB2C8D19E28 (1)
Weight, g/mol:	444.283552
ΔH_f, kcal/mol:	-316.94
Dipole, Da:	5.05
IP(EA), eV:	-9.47(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ditert-butyl (2R)-2-[[(4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]pentanedioate

Drug info:

PubChemData

Smile

CCOCCCOC(=O)N1CCN(C(C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations