Geometry & MOs

Info

ID:	124565
PubChem CID:	50887687
Reduced:	Cl4N4H12C17 (1)
Stoich.:	A4B4C12D17 (1)
Weight, g/mol:	459.012967
ΔH_f, kcal/mol:	95.49
Dipole, Da:	4.65
IP(EA), eV:	-8.98(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=C(C(=CC=C2)Cl)Cl)C)N=NC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations