Geometry & MOs

Info

ID:	425218
PubChem CID:	135125559
Reduced:	SF3O4N5C24H28 (1)
Stoich.:	AB3C4D5E24F28 (1)
Weight, g/mol:	366.146724
ΔH_f, kcal/mol:	-277.31
Dipole, Da:	3.59
IP(EA), eV:	-8.35(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-4-prop-2-enoxyphenyl)-5,7-dimethoxychromen-4-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations