Geometry & MOs

Info

ID:	166638
PubChem CID:	74719512
Reduced:	NF3O4H9C12 (1)
Stoich.:	AB3C4D9E12 (1)
Weight, g/mol:	409.052804
ΔH_f, kcal/mol:	-270.09
Dipole, Da:	5.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.842606
Charge, e:	-1

Chem-info

IUPAC name:

4-[[3-(3-acetylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]amino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC(=O)NC(=CC1=CC=C(C=C1)OC(F)(F)F)C(=O)[O-]

DOS

IR

Vibrations