Geometry & MOs

Info

ID:	43952
PubChem CID:	10322335
Reduced:	N5O7H21C22 (1)
Stoich.:	A5B7C21D22 (1)
Weight, g/mol:	468.23727
ΔH_f, kcal/mol:	-233.13
Dipole, Da:	6.67
IP(EA), eV:	-8.81(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,4S)-1-[(2R)-2-(4-aminoimidazol-1-yl)octanoyl]-4-(1-benzofuran-5-yloxy)pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)OC(=O)CC2=CC3=C(C=C2)N=C(N=C3N)N

DOS

IR

Vibrations