Geometry & MOs

Info

ID:	396878
PubChem CID:	135029380
Reduced:	OH32C49 (1)
Stoich.:	AB32C49 (1)
Weight, g/mol:	383.119129
ΔH_f, kcal/mol:	198.38
Dipole, Da:	6.64
IP(EA), eV:	-8.79(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-3-naphthalen-1-ylpropanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C3=C(C4=CC=CC=C4C5=CC=CC=C53)C(=C(C2=C6C=CC(=O)C=C6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations