Geometry & MOs

Info

ID:	59605
PubChem CID:	24883216
Reduced:	ClFN2O3H30C33 (1)
Stoich.:	ABC2D3E30F33 (1)
Weight, g/mol:	129.921693
ΔH_f, kcal/mol:	-86.45
Dipole, Da:	4.32
IP(EA), eV:	-7.84(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hydroxy-oxo-sulfanyl-sulfanylidene-lambda6-sulfane

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NCC2=CC(NC3=C2C=C(C=C3)C4=C(C=C(C=C4)OC(=O)C5=CC=CC=C5Cl)OC)(C)C

DOS

IR

Vibrations