Geometry & MOs

Info

ID:

310021

PubChem CID:

126572935

Reduced:

FSO3N5C23H30 (1)

Stoich.:

ABC3D5E23F30 (1)

Weight, g/mol:

459.174039

ΔHf, kcal/mol:

-93.9

Dipole, Da:

4.15

IP(EA), eV:

 -7.42(-0.62)

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]nona-3,8-dien-5-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1C(=O)NC2=CC(=C(C=C2)F)[C@@]3([C@@H]4CCNS4(C(C(=N3)N)(C)C)O)C)OC

DOS

IR

Vibrations