Geometry & MOs

Info

ID:	128109
PubChem CID:	51031698
Reduced:	NO4C16H19 (2)
Stoich.:	AB4C16D19 (2)
Weight, g/mol:	566.168916
ΔH_f, kcal/mol:	-304.22
Dipole, Da:	3.91
IP(EA), eV:	-8.7(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,7S)-7-(1,3-dioxoisoindol-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-methoxy-8-oxooct-4-ynoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@H](CC#CC[C@@H](C(=O)O)NC(=O)OC(C)(C)C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

DOS

IR

Vibrations