Geometry & MOs

Info

ID:	302726
PubChem CID:	124393669
Reduced:	ClN3O3C23H24 (1)
Stoich.:	AB3C3D23E24 (1)
Weight, g/mol:	488.117943
ΔH_f, kcal/mol:	-25.01
Dipole, Da:	6.5
IP(EA), eV:	-8.72(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[(4Z)-4-[[4-(2-amino-2-oxoethoxy)-3-ethoxy-5-nitrophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H](C)OC1=C(C=C(C=C1Cl)/C=N\NC(=O)C2=CC=CC=C2N3C=CC=C3)OC

DOS

IR

Vibrations