Geometry & MOs

Info

ID:	190431
PubChem CID:	78004303
Reduced:	SN5C10H21 (1)
Stoich.:	AB5C10D21 (1)
Weight, g/mol:	224.087101
ΔH_f, kcal/mol:	14.47
Dipole, Da:	6.3
IP(EA), eV:	-8.5(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(methylsulfonylmethyl)-2,3-dihydro-1H-indene

Drug info:

PubChemData

Smile

CC(C)(C)NC1NC(NC(=S)N1)NC2CC2

DOS

IR

Vibrations