Geometry & MOs

Info

ID:	437166
PubChem CID:	135215465
Reduced:	SC40H50 (1)
Stoich.:	AB40C50 (1)
Weight, g/mol:	590.394623
ΔH_f, kcal/mol:	1.45
Dipole, Da:	2.65
IP(EA), eV:	-8.44(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-ditert-butyl-5-[4-[[4-(3,5-ditert-butylphenyl)phenyl]methylsulfanylmethyl]phenyl]benzene

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1)C2=CC=C(C=C2)SC3=CC=C(C=C3)C4=CC(=CC(=C4)C(C)(C)C)C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations