Geometry & MOs

Info

ID:	292596
PubChem CID:	117355943
Reduced:	NOS2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	241.059506
ΔH_f, kcal/mol:	-7.63
Dipole, Da:	2.87
IP(EA), eV:	-8.72(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,4-bis(methylsulfanyl)phenyl]-2-(methylamino)ethanone

Drug info:

PubChemData

Smile

CNCC(=O)C1=C(C(=CC=C1)SC)SC

DOS

IR

Vibrations