Geometry & MOs

Info

ID:

310023

PubChem CID:

126572940

Reduced:

ClFSO4N5C22H25 (1)

Stoich.:

ABCD4E5F22G25 (1)

Weight, g/mol:

562.178551

ΔHf, kcal/mol:

-157.32

Dipole, Da:

4.28

IP(EA), eV:

 -8.09(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(5R,6S)-3-amino-1-hydroxy-2,2,5-trimethyl-1lambda4-thia-4,9-diazabicyclo[4.3.0]non-3-en-5-yl]-4-fluorophenyl]-5-(2,2,3,3-tetrafluoropropoxy)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@]1([C@@H]2CCNS2(C(C(=N1)NC(=O)O)(C)C)O)C3=C(C=CC(=C3)NC(=O)C4=NC=C(C=C4)Cl)F

DOS

IR

Vibrations