Geometry & MOs

Info

ID:	434350
PubChem CID:	135174731
Reduced:	SO3C18H20 (1)
Stoich.:	AB3C18D20 (1)
Weight, g/mol:	400.26136
ΔH_f, kcal/mol:	-75.23
Dipole, Da:	1.88
IP(EA), eV:	-8.84(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-4-[[2-[2-(3-propan-2-yloxypropoxy)ethoxy]phenyl]methoxy]benzene

Drug info:

PubChemData

Smile

CC(C(=O)COCCOC1=CC=C(C=C1)C2=CC=CC=C2)S

DOS

IR

Vibrations