Geometry & MOs

Info

ID:

328495

PubChem CID:

126723477

Reduced:

FIOSN4C15H22 (1)

Stoich.:

ABCDE4F15G22 (1)

Weight, g/mol:

553.188307

ΔHf, kcal/mol:

-23.88

Dipole, Da:

3.37

IP(EA), eV:

 -9.03(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2E,4E)-6-[(3S,10R)-8-amino-10-methyl-1-oxo-3-(trifluoromethyl)-1lambda6-thia-2,7,9-triazabicyclo[5.4.0]undeca-1,8-dien-10-yl]-5-fluorohepta-2,4,6-trien-2-yl]-5-cyano-3-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C1=C(C=CC(=C1)I)F)N=C(N)N2CCCCN=[S@@]2(=O)C

DOS

IR

Vibrations