Geometry & MOs

Info

ID:	283129
PubChem CID:	103959459
Reduced:	BrFNOC15H15 (1)
Stoich.:	ABCDE15F15 (1)
Weight, g/mol:	300.129634
ΔH_f, kcal/mol:	-39.21
Dipole, Da:	2.83
IP(EA), eV:	-9.36(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-[(1R)-1-aminopropyl]phenyl]sulfanylphenyl]acetamide

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1OC2=CC(=C(C=C2)F)Br)N

DOS

IR

Vibrations