Geometry & MOs

Info

ID:

189901

PubChem CID:

77921554

Reduced:

SN5O6C31H53 (1)

Stoich.:

AB5C6D31E53 (1)

Weight, g/mol:

525.227514

ΔHf, kcal/mol:

-293.85

Dipole, Da:

6.74

IP(EA), eV:

 -9.26(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 20-fluoro-11,16-dimethyl-9,12,17-trioxo-2-oxa-8,11,16-triazatricyclo[16.4.0.04,8]docosa-1(18),19,21-triene-15-carboxylate

Drug info:

PubChemData

Smile

CCCC(C(=O)OC)NC(=O)C1=CSC(=N1)C(CC(C(C)C)N(C)C(=O)C(C(C)CC)NC(=O)C2CCCCN2C)OC

DOS

IR

Vibrations