Geometry & MOs

Info

ID:	167145
PubChem CID:	74786726
Reduced:	N3O3C24H28 (1)
Stoich.:	A3B3C24D28 (1)
Weight, g/mol:	409.089189
ΔH_f, kcal/mol:	-9.77
Dipole, Da:	5.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.110755
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(CNC(=O)C2=NOC(=C2)C3=CC=CC=C3)[NH+]4CCCC4

DOS

IR

Vibrations