Geometry & MOs

Info

ID:	25666
PubChem CID:	628317
Reduced:	O3C38H74 (1)
Stoich.:	A3B38C74 (1)
Weight, g/mol:	420.175916
ΔH_f, kcal/mol:	-273.75
Dipole, Da:	1.84
IP(EA), eV:	-9.34(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-methoxy-3-[4-(phenylsulfanylmethyl)phenoxy]phenyl]butyl]oxirane

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)OCCOCCCCCCCCC=CCCCCCCCC

DOS

IR

Vibrations