Geometry & MOs

Info

ID:	384265
PubChem CID:	134976652
Reduced:	OH36C42 (1)
Stoich.:	AB36C42 (1)
Weight, g/mol:	506.0447
ΔH_f, kcal/mol:	763.93
Dipole, Da:	34.55
IP(EA), eV:	-5.43(-4.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1,2,3-tris[(2-methylphenyl)sulfanyl]cyclopropyl] perchlorate

Drug info:

PubChemData

Smile

CC1=C=C(C2=CC=C(C=C2)C(=C=C(C3=CC=C(C=C3)C(=C=C(C4=CC=C(C=C4)C(C#CC5=CC=C1C=C5)O)C)C)C)C)C

DOS

IR

Vibrations