Geometry & MOs

Info

ID:	325681
PubChem CID:	126684470
Reduced:	NS2O3C34H50 (2)
Stoich.:	AB2C3D34E50 (2)
Weight, g/mol:	257.9187
ΔH_f, kcal/mol:	-249.99
Dipole, Da:	3.39
IP(EA), eV:	-8.24(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

iodo-dimethyl-(trifluoromethyl)-lambda4-sulfane

Drug info:

PubChemData

Smile

CCCCCC(CC)C1(C2=C(C3=C1C=C(S3)C4=C5C(=C(N(C5=O)CC(OCC)OCC)C6=CC7=C(S6)C8=C(C7(CC(CC)CCCC)CC(CC)CCCC)C=CS8)C(=O)N4CC(OCC)OCC)SC=C2)CC(CC)CCCC

DOS

IR

Vibrations