Geometry & MOs

Info

ID:	174571
PubChem CID:	75787952
Reduced:	SO4N7C16H21 (1)
Stoich.:	AB4C7D16E21 (1)
Weight, g/mol:	337.20755
ΔH_f, kcal/mol:	-53.11
Dipole, Da:	10.34
IP(EA), eV:	-8.39(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(2-methylpropylsulfanyl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC(COC)NC1=NC(=C(C(=N1)NC2=C(C3=C(S2)CCC3)C(=O)N)[N+](=O)[O-])N

DOS

IR

Vibrations