Geometry & MOs

Info

ID:

166715

PubChem CID:

74724579

Reduced:

ClOSN4H14C21 (1)

Stoich.:

ABCD4E14F21 (1)

Weight, g/mol:

461.150132

ΔHf, kcal/mol:

156.05

Dipole, Da:

6.0

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.996935

Charge, e:

 1

Chem-info

IUPAC name:

11-(furan-2-carbonyl)-14-naphthalen-1-yl-14-aza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=CC(=C2)C=NN3C(=NN=C3[S-])C4=CC=CC=C4Cl

DOS

IR

Vibrations