Geometry & MOs

Info

ID:	281371
PubChem CID:	103913774
Reduced:	NSO2C13H21 (1)
Stoich.:	ABC2D13E21 (1)
Weight, g/mol:	193.146664
ΔH_f, kcal/mol:	-79.58
Dipole, Da:	4.84
IP(EA), eV:	-9.22(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-[[(1R)-1-phenylethyl]amino]propan-1-ol

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)NCCS(=O)(=O)C(C)C

DOS

IR

Vibrations