Geometry & MOs

Info

ID:

177141

PubChem CID:

76141141

Reduced:

SN7O7C28H31 (1)

Stoich.:

AB7C7D28E31 (1)

Weight, g/mol:

435.064028

ΔHf, kcal/mol:

-30.47

Dipole, Da:

6.62

IP(EA), eV:

 -8.73(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3-[(2,6-dichlorophenyl)methylidene]-9-oxo-1,2,4a,5,6,7,8,8a-octahydrocyclopenta[b]chromen-6-yl]amino]-2-oxoacetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)C(CCCN=C(N)N)(C(=O)O)N[N+](=O)[O-])N(CC2=CC=CC=C2)SC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations