Geometry & MOs

Info

ID:	195253
PubChem CID:	78665528
Reduced:	FNSO2C16H16 (1)
Stoich.:	ABCD2E16F16 (1)
Weight, g/mol:	411.109371
ΔH_f, kcal/mol:	-60.64
Dipole, Da:	6.34
IP(EA), eV:	-9.57(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2,4-bis(difluoromethoxy)phenyl]-N-(3,4-dihydro-2H-chromen-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1F)S(=O)(=O)C=CC2=CC=CC=C2

DOS

IR

Vibrations