Geometry & MOs

Info

ID:	153655
PubChem CID:	56312941
Reduced:	FO3N5H20C24 (1)
Stoich.:	AB3C5D20E24 (1)
Weight, g/mol:	457.117078
ΔH_f, kcal/mol:	-26.22
Dipole, Da:	4.5
IP(EA), eV:	-9.05(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2N=C1NNC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations