Geometry & MOs

Info

ID:	129358
PubChem CID:	51072361
Reduced:	ClNSO2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	267.1293
ΔH_f, kcal/mol:	-81.38
Dipole, Da:	5.1
IP(EA), eV:	-8.85(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dimethylphenyl)sulfanyl-N-(3-methoxypropyl)acetamide

Drug info:

PubChemData

Smile

CC(COC)NC(=O)CSC1=CC=C(C=C1)Cl

DOS

IR

Vibrations