Geometry & MOs

Info

ID:	388485
PubChem CID:	134989287
Reduced:	N4H17C26 (2)
Stoich.:	A4B17C26 (2)
Weight, g/mol:	268.913876
ΔH_f, kcal/mol:	358.35
Dipole, Da:	3.99
IP(EA), eV:	-7.55(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-[benzenesulfonyl(chloro)methylidene]amino] thiohypochlorite

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C=CC3=C2C4=NC5=C6C(=C(N5)N=C7C8=C(C=CC9=C8C=C(C=C9)C)C(=N7)N=C1C2=C(C5=C(C=CC(=C5)C)C=C2)C(=N1)N=C3N4)C=CC1=C6C=C(C=C1)C

DOS

IR

Vibrations