Geometry & MOs

Info

ID:

175932

PubChem CID:

75969408

Reduced:

N2O2C5H6 (1)

Stoich.:

A2B2C5D6 (1)

Weight, g/mol:

795.420714

ΔHf, kcal/mol:

-19.64

Dipole, Da:

4.2

IP(EA), eV:

-9.72(-1.53)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

methyl 11-acetyloxy-4-(13-carbamoyl-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl)-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=O)N=NC1CO

DOS

IR

Vibrations