Geometry & MOs

Info

ID:	204984
PubChem CID:	80039386
Reduced:	NOC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	210.053693
ΔH_f, kcal/mol:	-83.48
Dipole, Da:	5.5
IP(EA), eV:	-9.44(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanethiol

Drug info:

PubChemData

Smile

CC(C)CCCNC(=O)C1=C(C=NC=C1)O

DOS

IR

Vibrations