Geometry & MOs

Info

ID:	292597
PubChem CID:	117355944
Reduced:	NOS2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	241.059506
ΔH_f, kcal/mol:	-6.58
Dipole, Da:	2.98
IP(EA), eV:	-8.41(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-[2,3-bis(methylsulfanyl)phenyl]propan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations