Geometry & MOs

Info

ID:	311109
PubChem CID:	126589441
Reduced:	NSO2C21H27 (1)
Stoich.:	ABC2D21E27 (1)
Weight, g/mol:	355.214744
ΔH_f, kcal/mol:	-54.63
Dipole, Da:	4.5
IP(EA), eV:	-8.52(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-propan-2-ylphenyl]-N-hydroxypropanamide

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=C(C=C2)OCC)NC(=S)CC)C

DOS

IR

Vibrations