Geometry & MOs

Info

ID:	137848
PubChem CID:	52271941
Reduced:	NSO4C13H23 (1)
Stoich.:	ABC4D13E23 (1)
Weight, g/mol:	336.129634
ΔH_f, kcal/mol:	-191.69
Dipole, Da:	2.49
IP(EA), eV:	-9.5(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-cyanophenyl)methylsulfanyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

C[C@H]1COCCN1C(=O)CCS(=O)(=O)C2CCCC2

DOS

IR

Vibrations