Geometry & MOs

Info

ID:	373769
PubChem CID:	131319879
Reduced:	BrNCl2O3H4C8 (1)
Stoich.:	ABC2D3E4F8 (1)
Weight, g/mol:	432.132136
ΔH_f, kcal/mol:	-23.82
Dipole, Da:	4.54
IP(EA), eV:	-10.4(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-2-carboxy-1-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1Cl)[N+](=O)[O-])Cl)C(=O)CBr

DOS

IR

Vibrations