Geometry & MOs

Info

ID:	16268
PubChem CID:	463197
Reduced:	SN2O6H22C27 (1)
Stoich.:	AB2C6D22E27 (1)
Weight, g/mol:	502.119858
ΔH_f, kcal/mol:	-101.02
Dipole, Da:	8.08
IP(EA), eV:	-9.03(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-[3-[cyclopropyl-(2-hydroxy-7-methoxy-4-oxochromen-3-yl)methyl]phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=O)C(=C(O2)O)C(C3CC3)C4=CC(=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C#N

DOS

IR

Vibrations