Geometry & MOs

Info

ID:	397143
PubChem CID:	135029786
Reduced:	ON2C26H26 (1)
Stoich.:	AB2C26D26 (1)
Weight, g/mol:	333.103479
ΔH_f, kcal/mol:	31.49
Dipole, Da:	3.14
IP(EA), eV:	-9.22(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CN1C2C(CCN2C(=O)C3=CC=CC=C31)(CC4=CC=CC=C4)CC5=CC=CC=C5

DOS

IR

Vibrations