Geometry & MOs

Info

ID:	435695
PubChem CID:	135192174
Reduced:	FSN2O2C20H23 (1)
Stoich.:	ABC2D2E20F23 (1)
Weight, g/mol:	495.081498
ΔH_f, kcal/mol:	-96.4
Dipole, Da:	5.81
IP(EA), eV:	-8.22(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R)-5-cyano-2-(3-hydroxy-4,5-dinitrosophenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4-dicyano-5-hydroxybenzoate

Drug info:

PubChemData

Smile

CCCN1C(=O)CCC2=C1C=CC(=C2)NS(=O)CC3=CC(=C(C=C3)C)F

DOS

IR

Vibrations