Geometry & MOs

Info

ID:	144661
PubChem CID:	53394872
Reduced:	FNO4C28H34 (1)
Stoich.:	ABC4D28E34 (1)
Weight, g/mol:	442.156243
ΔH_f, kcal/mol:	-208.09
Dipole, Da:	9.89
IP(EA), eV:	-8.06(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamidosulfanyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)N1C2=CC=CC=C2C(=C1C=CC(CC(CC(=O)OC(C)(C)C)O)O)C3=CC=C(C=C3)F

DOS

IR

Vibrations