Geometry & MOs

Info

ID:	218944
PubChem CID:	85090215
Reduced:	F2N3O4H29C30 (1)
Stoich.:	A2B3C4D29E30 (1)
Weight, g/mol:	534.247835
ΔH_f, kcal/mol:	-174.38
Dipole, Da:	4.88
IP(EA), eV:	-8.91(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-(4-nitroimidazol-1-yl)octanoyl]-4-(4-phenylphenoxy)pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC1C(OC2=CC=CC=C2N(C1=O)CC3CC3)C4=CC=CC=C4)NC(=O)CC5=CC(=CC(=C5)F)F

DOS

IR

Vibrations