Geometry & MOs

Info

ID:	281996
PubChem CID:	103914646
Reduced:	BrN2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	207.092915
ΔH_f, kcal/mol:	-12.17
Dipole, Da:	2.83
IP(EA), eV:	-7.98(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(1,1-dioxothian-3-yl)amino]propan-2-ol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1Br)NC2CCN(CC2)CC(C)C

DOS

IR

Vibrations