Geometry & MOs

Info

ID:

219478

PubChem CID:

85148738

Reduced:

N6O7C24H30 (1)

Stoich.:

A6B7C24D30 (1)

Weight, g/mol:

514.119858

ΔHf, kcal/mol:

-103.19

Dipole, Da:

3.39

IP(EA), eV:

 -8.82(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(benzenesulfonyl)-6,16,17-trimethoxy-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-2,4(9),5,7,11,13,15,17,19-nonaen-21-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OC)N(CC2=NN(N=N2)C)C3C(C(OC4=C3C=C(C=C4)[N+](=O)[O-])(C)C(OC)OC)O

DOS

IR

Vibrations