Geometry & MOs

Info

ID:	79564
PubChem CID:	49829523
Reduced:	ClN3O4C23H26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	441.07947
ΔH_f, kcal/mol:	-136.05
Dipole, Da:	6.97
IP(EA), eV:	-8.38(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2-benzoylanilino)-3-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)-2-fluoropropanoate

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC2(CC1)NC(CC(=C3C=C(C=CC3=O)Cl)N2)C4=CC=CC=C4O

DOS

IR

Vibrations