Geometry & MOs

Info

ID:	218740
PubChem CID:	85089893
Reduced:	O8H26C29 (1)
Stoich.:	A8B26C29 (1)
Weight, g/mol:	502.206364
ΔH_f, kcal/mol:	-211.68
Dipole, Da:	4.73
IP(EA), eV:	-8.76(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(1,3-benzodioxol-5-yloxy)-1-[2-(4-nitroimidazol-1-yl)octanoyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2CC(CC3C2C(=O)C4=C(C5=CC=CC=C5C(=C4C3=O)O)O)(C#C)O

DOS

IR

Vibrations