Geometry & MOs

Info

ID:

214957

PubChem CID:

85083920

Reduced:

N2O3C19H22 (2)

Stoich.:

A2B3C19D22 (2)

Weight, g/mol:

653.219572

ΔHf, kcal/mol:

-152.32

Dipole, Da:

1.34

IP(EA), eV:

 -9.07(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[4-[3-[2-[4-(5,5-dioxo-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)piperazin-1-yl]-2-oxoethoxy]phenyl]phenyl]ethylideneamino]oxyacetic acid

Drug info:

PubChemData

Smile

COC1C(C(OC(C1O)COCC2=CC=C(C=C2)C3=CC=CC=C3)OCC4=CC=C(C=C4)C5=CC=CC=C5)NC(=O)CCCN=C(N)N

DOS

IR

Vibrations