Geometry & MOs

Info

ID:	197226
PubChem CID:	78939073
Reduced:	FOSN4C13H17 (1)
Stoich.:	ABCD4E13F17 (1)
Weight, g/mol:	315.02925
ΔH_f, kcal/mol:	-51.55
Dipole, Da:	8.77
IP(EA), eV:	-8.16(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[3-bromo-4-(oxan-4-ylsulfanyl)phenyl]ethanamine

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=CC(=C1)F)SC2=NNC(=O)N2C(C)C)N

DOS

IR

Vibrations