Geometry & MOs

Info

ID:	218830
PubChem CID:	85090039
Reduced:	NF2S3O6H19C21 (1)
Stoich.:	AB2C3D6E19F21 (1)
Weight, g/mol:	515.230788
ΔH_f, kcal/mol:	-256.16
Dipole, Da:	6.57
IP(EA), eV:	-9.97(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1-carboxy-2-phenylethyl)-(9H-fluoren-9-ylmethoxycarbonyl)amino]methyl]-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2S(=O)(=O)C3=C(C=CC(=C3)F)F)NS(=O)(=O)C

DOS

IR

Vibrations