Geometry & MOs

Info

ID:	310856
PubChem CID:	126588213
Reduced:	ClNSO3C19H22 (1)
Stoich.:	ABCD3E19F22 (1)
Weight, g/mol:	361.144471
ΔH_f, kcal/mol:	-74.83
Dipole, Da:	1.43
IP(EA), eV:	-8.33(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide

Drug info:

PubChemData

Smile

CCC1=C(C=C(C(=C1)C)OCC2=C(C=CC=C2Cl)N(C(=O)SC)O)C

DOS

IR

Vibrations