Geometry & MOs

Info

ID:	176736
PubChem CID:	76090531
Reduced:	FN3O7C39H46 (1)
Stoich.:	AB3C7D39E46 (1)
Weight, g/mol:	531.403607
ΔH_f, kcal/mol:	-260.99
Dipole, Da:	4.79
IP(EA), eV:	-7.91(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-(2-aminoacetyl)anilino)-2-(3-amino-3-oxopropyl)icosanoic acid

Drug info:

PubChemData

Smile

CCCC(CCC)N(C1=CC(=C(C=C1)F)C)C(=O)CN2CC(C(C2CCN3C=C4C=CC=CC4=C3O)C(=O)O)C5=CC6=C(C(=C5)OC)OCO6

DOS

IR

Vibrations