Geometry & MOs

Info

ID:	166965
PubChem CID:	74758573
Reduced:	SO2N5C25H34 (1)
Stoich.:	AB2C5D25E34 (1)
Weight, g/mol:	342.097762
ΔH_f, kcal/mol:	-16.56
Dipole, Da:	6.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.129857
Charge, e:	-1

Chem-info

IUPAC name:

4-[[1-ethoxy-4-(5-methylfuran-2-yl)-1,4-dioxobut-2-en-2-yl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NCC(C4=CC=CC=C4OC)[NH+](C)C)C

DOS

IR

Vibrations