Geometry & MOs

Info

ID:	292595
PubChem CID:	117355939
Reduced:	NSO2C12H19 (1)
Stoich.:	ABC2D12E19 (1)
Weight, g/mol:	241.059506
ΔH_f, kcal/mol:	-86.93
Dipole, Da:	4.16
IP(EA), eV:	-9.48(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CCCCN)S(=O)(=O)C

DOS

IR

Vibrations