Geometry & MOs

Info

ID:	353064
PubChem CID:	127284214
Reduced:	OSN2C13H24 (1)
Stoich.:	ABC2D13E24 (1)
Weight, g/mol:	261.118735
ΔH_f, kcal/mol:	-64.9
Dipole, Da:	2.53
IP(EA), eV:	-8.51(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCCCC1C(=O)N2CCCSCC2

DOS

IR

Vibrations