Geometry & MOs

Info

ID:	221757
PubChem CID:	85286112
Reduced:	ClS4O6N7C20H20 (1)
Stoich.:	AB4C6D7E20F20 (1)
Weight, g/mol:	617.86409
ΔH_f, kcal/mol:	-68.25
Dipole, Da:	11.03
IP(EA), eV:	-8.76(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-iodo-N-[4-[(4-iodophenyl)sulfonylamino]but-2-enyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NO)C3=C(SC(=N3)N)Cl)C(=O)O)SC4=C(C=NC=C4)CS(=O)CCN

DOS

IR

Vibrations