Geometry & MOs

Info

ID:	308561
PubChem CID:	126497015
Reduced:	ClN3O5H24C26 (1)
Stoich.:	AB3C5D24E26 (1)
Weight, g/mol:	288.132136
ΔH_f, kcal/mol:	-51.37
Dipole, Da:	10.01
IP(EA), eV:	-8.47(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-[(6-methoxy-6-oxohexanoyl)amino]acetyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1[C@@H]2CC3=CC=CC=C3N2C(=O)C4=CC(=C(C=C4N1)OCC5=CC(=CC(=C5)[N+](=O)[O-])CCl)OC

DOS

IR

Vibrations