Geometry & MOs

Info

ID:	184743
PubChem CID:	77201711
Reduced:	SF3N3O8C25H34 (1)
Stoich.:	AB3C3D8E25F34 (1)
Weight, g/mol:	597.314911
ΔH_f, kcal/mol:	-447.99
Dipole, Da:	5.79
IP(EA), eV:	-9.45(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[3,4-bis(pentan-2-yloxycarbonyloxy)phenyl]-4-methyl-5-(2-methylbutan-2-yloxycarbonyloxy)pentanoic acid

Drug info:

PubChemData

Smile

CN(CCOC)S(=O)(=O)CC(=O)N1C2CCC1CC(C2)C(CC3=CC(=C(C=C3F)F)F)N.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations