Geometry & MOs

Info

ID:	244237
PubChem CID:	99319534
Reduced:	FO3N4C21H29 (1)
Stoich.:	AB3C4D21E29 (1)
Weight, g/mol:	420.184921
ΔH_f, kcal/mol:	-180.86
Dipole, Da:	4.47
IP(EA), eV:	-9.45(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-3-(2-phenylphenoxy)propanamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)N2CCC[C@H](C2)C(=O)NCCNC(=O)CC3=CC(=CC=C3)F

DOS

IR

Vibrations