Geometry & MOs

Info

ID:	174572
PubChem CID:	75787998
Reduced:	NSO2C19H31 (1)
Stoich.:	ABC2D19E31 (1)
Weight, g/mol:	349.067005
ΔH_f, kcal/mol:	-115.27
Dipole, Da:	1.91
IP(EA), eV:	-8.77(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dichlorophenoxy)-N-[2-(2-methylpropylsulfanyl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)OC(C)C(=O)NCCSCC(C)C

DOS

IR

Vibrations