Geometry & MOs

Info

ID:	430035
PubChem CID:	135170092
Reduced:	FSN4O4C18H23 (1)
Stoich.:	ABC4D4E18F23 (1)
Weight, g/mol:	450.177727
ΔH_f, kcal/mol:	-78.84
Dipole, Da:	2.41
IP(EA), eV:	-8.73(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethylsulfanylphenyl)methyl]-3-fluoro-4-(3-phenylmorpholin-4-yl)benzamide

Drug info:

PubChemData

Smile

COSOC1=CC=C(C=C1)CN(C2=CC(=C(C=C2)N3CCOCC3)F)ONN

DOS

IR

Vibrations