Geometry & MOs

Info

ID:	334938
PubChem CID:	127253744
Reduced:	O7H14C26 (1)
Stoich.:	A7B14C26 (1)
Weight, g/mol:	329.101171
ΔH_f, kcal/mol:	-159.77
Dipole, Da:	5.69
IP(EA), eV:	-8.59(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(C(=O)O2)C3=C(OC4=C3C(=O)OC5=CC=CC=C54)C6=CC=C(C=C6)O)O

DOS

IR

Vibrations