Geometry & MOs

Info

ID:

310022

PubChem CID:

126572939

Reduced:

FSO3N5C22H26 (1)

Stoich.:

ABC3D5E22F26 (1)

Weight, g/mol:

509.129981

ΔHf, kcal/mol:

-64.81

Dipole, Da:

5.82

IP(EA), eV:

 -8.02(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(5R,6S)-5-[5-[(5-chloropyridine-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

C[C@]1([C@@H]2CC=NS2(C(C(=N1)N)(C)C)O)C3=C(C=CC(=C3)NC(=O)C4=NC=C(C=C4)OC)F

DOS

IR

Vibrations