Geometry & MOs

Info

ID:	280567
PubChem CID:	103849913
Reduced:	NO4H25C26 (1)
Stoich.:	AB4C25D26 (1)
Weight, g/mol:	443.209658
ΔH_f, kcal/mol:	-120.13
Dipole, Da:	6.02
IP(EA), eV:	-8.93(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylphenyl)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(C)(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C

DOS

IR

Vibrations