Geometry & MOs

Info

ID:	232826
PubChem CID:	87577143
Reduced:	NSO3H19C24 (1)
Stoich.:	ABC3D19E24 (1)
Weight, g/mol:	319.116821
ΔH_f, kcal/mol:	-44.09
Dipole, Da:	5.38
IP(EA), eV:	-9.5(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-4-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2C(=O)N(C(=O)S2)CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations