Geometry & MOs

Info

ID:	281997
PubChem CID:	103914647
Reduced:	NSO3C8H17 (1)
Stoich.:	ABC3D8E17 (1)
Weight, g/mol:	237.118735
ΔH_f, kcal/mol:	-153.1
Dipole, Da:	6.19
IP(EA), eV:	-9.29(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(3-methyl-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol

Drug info:

PubChemData

Smile

C[C@@H](CNC1CCCS(=O)(=O)C1)O

DOS

IR

Vibrations