Geometry & MOs

Info

ID:	49747
PubChem CID:	11533720
Reduced:	FN4O4C29H33 (1)
Stoich.:	AB4C4D29E33 (1)
Weight, g/mol:	520.290135
ΔH_f, kcal/mol:	-151.17
Dipole, Da:	7.35
IP(EA), eV:	-9.32(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[6,6-bis(4-fluorophenyl)hexanoylamino]butyl]-4-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CC1=CC(=CC(=C1)F)OCCC2=CN=CC=C2)[C@@H]([C@H]3C(=O)N(CCN3)CC4=CC=CC=C4)O

DOS

IR

Vibrations