Geometry & MOs

Info

ID:

43697

PubChem CID:

10321661

Reduced:

O2F4N5C21H23 (1)

Stoich.:

A2B4C5D21E23 (1)

Weight, g/mol:

453.164833

ΔHf, kcal/mol:

-231.64

Dipole, Da:

2.62

IP(EA), eV:

 -8.95(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4S,6S,7R,8S,11Z)-11-(benzoylhydrazinylidene)-7,13-dimethoxy-10-oxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),12-dien-8-yl]methyl carbamate

Drug info:

PubChemData

Smile

CC1(C2=C(CN1C(=O)N3CCC(CC3)F)C(=NN2)NC(=O)C4=CC=C(C=C4)C(F)(F)F)C

DOS

IR

Vibrations