Geometry & MOs

Info

ID:	376614
PubChem CID:	134222635
Reduced:	O4H44C61 (1)
Stoich.:	A4B44C61 (1)
Weight, g/mol:	312.027305
ΔH_f, kcal/mol:	108.31
Dipole, Da:	2.24
IP(EA), eV:	-8.72(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trichloro-(4-heptylphenyl)-lambda4-sulfane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=C(C=CC(=C3)C4=CC=C(C=C4)OC5=CC=CC=C5)OC6=CC=CC=C6)C7=C(C=CC(=C7)C8=CC=C(C=C8)OC9=CC=CC=C9)OC1=CC=CC=C1

DOS

IR

Vibrations