Geometry & MOs

Info

ID:	204288
PubChem CID:	79942274
Reduced:	N2O2S2C13H20 (1)
Stoich.:	A2B2C2D13E20 (1)
Weight, g/mol:	252.093249
ΔH_f, kcal/mol:	-80.59
Dipole, Da:	5.37
IP(EA), eV:	-8.77(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-(2-methyl-5-nitrophenyl)thiolan-3-amine

Drug info:

PubChemData

Smile

CCNS(=O)(=O)C1=CC=CC=C1NC2CC(SC2)C

DOS

IR

Vibrations