Geometry & MOs

Info

ID:	55379
PubChem CID:	17395312
Reduced:	NF2O5H15C17 (1)
Stoich.:	AB2C5D15E17 (1)
Weight, g/mol:	346.08097
ΔH_f, kcal/mol:	-249.34
Dipole, Da:	7.36
IP(EA), eV:	-8.76(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)OCC(=O)NC3=CC=C(C=C3)OC(F)F

DOS

IR

Vibrations