Geometry & MOs

Info

ID:	413509
PubChem CID:	135086458
Reduced:	NO3H15C17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	322.102751
ΔH_f, kcal/mol:	-50.67
Dipole, Da:	5.61
IP(EA), eV:	-8.72(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-3-[(S)-(4-methylphenyl)sulfinyl]-2-phenylbenzene

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)C(=C)C(=O)NC2=CC=CC=C2

DOS

IR

Vibrations