Geometry & MOs

Info

ID:	136858
PubChem CID:	52113853
Reduced:	NSO3C9H17 (1)
Stoich.:	ABC3D9E17 (1)
Weight, g/mol:	281.081871
ΔH_f, kcal/mol:	-140.79
Dipole, Da:	4.85
IP(EA), eV:	-9.24(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4S)-6-[(2R)-2-chloropropanoyl]-3,4-dihydro-2H-chromen-4-yl]acetamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCO[C@@H]2[C@@H]1CCCC2

DOS

IR

Vibrations