Geometry & MOs

Info

ID:	272923
PubChem CID:	103766727
Reduced:	ClINO2H13C15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	331.100892
ΔH_f, kcal/mol:	-34.6
Dipole, Da:	5.36
IP(EA), eV:	-8.92(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenoxy)-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CC(=O)NC2=C(C=C(C=C2)Cl)I

DOS

IR

Vibrations