Geometry & MOs

Info

ID:	80542
PubChem CID:	49835053
Reduced:	SO5N6H18C19 (1)
Stoich.:	AB5C6D18E19 (1)
Weight, g/mol:	539.122317
ΔH_f, kcal/mol:	-21.95
Dipole, Da:	14.19
IP(EA), eV:	-8.68(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dioxopyrrolidin-1-yl) 4-[5-(dimethylamino)-2-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CN(C)C1=CC(=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])NC(=O)CCC(=O)O

DOS

IR

Vibrations