Geometry & MOs

Info

ID:	173623
PubChem CID:	75664069
Reduced:	SCl2N2O3H13C19 (1)
Stoich.:	AB2C2D3E13F19 (1)
Weight, g/mol:	501.052524
ΔH_f, kcal/mol:	-13.68
Dipole, Da:	2.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.901581
Charge, e:	-2

Chem-info

IUPAC name:

2-cyano-2-[[4-[(5-methyl-1,2-oxazol-3-yl)azanidylsulfonyl]phenyl]hydrazinylidene]-N-(4-sulfamoylphenyl)ethanimidate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)C=C2N=C(C(=CC3=C(C(=CC=C3)Cl)Cl)S2)[O-]

DOS

IR

Vibrations