Geometry & MOs

Info

ID:	232901
PubChem CID:	87577532
Reduced:	O2H12C13 (1)
Stoich.:	A2B12C13 (1)
Weight, g/mol:	557.059643
ΔH_f, kcal/mol:	-18.39
Dipole, Da:	5.21
IP(EA), eV:	-9.42(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[acetyl-(7-amino-4-methyl-2-oxochromen-3-yl)amino]-5-(2,5-dioxopyrrolidin-1-yl)-3-sulfanyl-5-sulfopentanethioic S-acid

Drug info:

PubChemData

Smile

C=CC=C(C=CC1=CC=CC=C1)C(=O)O

DOS

IR

Vibrations