Geometry & MOs

Info

ID:	334105
PubChem CID:	127252657
Reduced:	N4O4H22C27 (1)
Stoich.:	A4B4C22D27 (1)
Weight, g/mol:	426.153934
ΔH_f, kcal/mol:	-7.41
Dipole, Da:	3.34
IP(EA), eV:	-8.59(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9R)-11-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-5-nitro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCC5=NN=C6N5C=CC=C6)OC

DOS

IR

Vibrations