Geometry & MOs

Info

ID:

310019

PubChem CID:

126572862

Reduced:

O3H11C14 (2)

Stoich.:

A3B11C14 (2)

Weight, g/mol:

556.171574

ΔHf, kcal/mol:

-135.58

Dipole, Da:

1.24

IP(EA), eV:

 -8.9(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(5R,6S)-5-[5-[[5-(2,2-difluoroethoxy)pyrazine-2-carbonyl]amino]-2-fluorophenyl]-1-hydroxy-2,2,5-trimethyl-1lambda4-thia-4,9-diazabicyclo[4.3.0]non-3-en-3-yl]carbamic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=C(C=C1C2=CC3=CC=CC=C3O2)C(=O)OCC)C4=CC5=CC=CC=C5O4

DOS

IR

Vibrations