Geometry & MOs

Info

ID:	124452
PubChem CID:	50884015
Reduced:	SCl2N3O4H15C21 (1)
Stoich.:	AB2C3D4E15F21 (1)
Weight, g/mol:	537.099457
ΔH_f, kcal/mol:	-39.55
Dipole, Da:	11.18
IP(EA), eV:	-9.09(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4Z)-4-[[5-(9,10-dioxoanthracen-2-yl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC\1=NN(C(=O)/C1=C\C2=CC=C(O2)C3=CC(=C(C=C3)Cl)Cl)C4=CC=C(C=C4)S(=O)(=O)N

DOS

IR

Vibrations