Geometry & MOs

Info

ID:	133437
PubChem CID:	51527001
Reduced:	NO3C18H20 (1)
Stoich.:	AB3C18D20 (1)
Weight, g/mol:	365.085007
ΔH_f, kcal/mol:	-56.65
Dipole, Da:	6.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.232921
Charge, e:	-1

Chem-info

IUPAC name:

(6S)-6-(2,3-difluorophenyl)-4-oxo-1,3,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,7,9,12,14,16-hexaen-8-olate

Drug info:

PubChemData

Smile

CC1=CC2=C(C3=C(CCCC3)C(=[NH+]O)O2)C4=C1C(=C(O4)C)C

DOS

IR

Vibrations