Geometry & MOs

Info

ID:	28225
PubChem CID:	826399
Reduced:	ClFSO2H10C14 (1)
Stoich.:	ABCD2E10F14 (1)
Weight, g/mol:	247.193614
ΔH_f, kcal/mol:	-101.62
Dipole, Da:	2.28
IP(EA), eV:	-9.16(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-2,2-dimethyl-N-[(2R)-1-phenylpropan-2-yl]oxan-4-amine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)SC2=C(C=C(C=C2)Cl)CC(=O)O)F

DOS

IR

Vibrations