Geometry & MOs

Info

ID:	124580
PubChem CID:	50888114
Reduced:	BrOCl2N2H11C17 (1)
Stoich.:	ABC2D2E11F17 (1)
Weight, g/mol:	496.138284
ΔH_f, kcal/mol:	64.4
Dipole, Da:	2.25
IP(EA), eV:	-8.48(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-amino-5-cyano-4-[5-(3-methoxycarbonylphenyl)furan-2-yl]-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=C(O2)/C=N/NC3=C(C(=CC=C3)Cl)Cl)Br

DOS

IR

Vibrations