Geometry & MOs

Info

ID:	320338
PubChem CID:	126659568
Reduced:	N2O4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	530.169785
ΔH_f, kcal/mol:	-57.67
Dipole, Da:	6.49
IP(EA), eV:	-9.44(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-[4-[1-hydroxy-2-(3-methylphenyl)sulfanylethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]-N-methylsulfanylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1C(CNC)O)C2=CC=C(C=C2)C3=CC=C(C=C3)C4(CC4)C(=O)O

DOS

IR

Vibrations