Geometry & MOs

Info

ID:	293504
PubChem CID:	117391936
Reduced:	NSO2C13H21 (1)
Stoich.:	ABC2D13E21 (1)
Weight, g/mol:	255.075157
ΔH_f, kcal/mol:	-82.46
Dipole, Da:	1.29
IP(EA), eV:	-8.57(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methylamino)-1-[4-methyl-2,5-bis(methylsulfanyl)phenyl]ethanone

Drug info:

PubChemData

Smile

CC(C)SC1=CC(=C(C(=C1)OC)C(C)N)OC

DOS

IR

Vibrations