Geometry & MOs

Info

ID:	302345
PubChem CID:	124361349
Reduced:	NO7C21H23 (1)
Stoich.:	AB7C21D23 (1)
Weight, g/mol:	440.194737
ΔH_f, kcal/mol:	-247.7
Dipole, Da:	6.04
IP(EA), eV:	-9.07(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibenzyl (2S)-2-[[(2R)-2-acetamidopropanoyl]amino]pentanedioate

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)O)NC(=O)COC1=CC(=C(C=C1)C(=O)COC2=CC=CC=C2)O

DOS

IR

Vibrations