Geometry & MOs

Info

ID:	434830
PubChem CID:	135175802
Reduced:	N3O3F4H21C24 (1)
Stoich.:	A3B3C4D21E24 (1)
Weight, g/mol:	464.267508
ΔH_f, kcal/mol:	-242.56
Dipole, Da:	3.59
IP(EA), eV:	-9.02(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-[5-[2-[(2-cyclobutylacetyl)amino]ethyl]-2-hydroxyphenoxy]phenyl]ethyl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CC(C)N1C=C(C=N1)C2=C(C=C(C=C2F)NC(=O)C3(CC3)C4=CC=C(C=C4)C(F)(F)F)C(=O)O

DOS

IR

Vibrations