Geometry & MOs

Info

ID:	353065
PubChem CID:	127284215
Reduced:	NOSC15H19 (1)
Stoich.:	ABCD15E19 (1)
Weight, g/mol:	247.103085
ΔH_f, kcal/mol:	-30.06
Dipole, Da:	3.6
IP(EA), eV:	-8.74(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1H-inden-1-yl(thiomorpholin-4-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCSC1)C(=O)C2CCC3=CC=CC=C23

DOS

IR

Vibrations