Geometry & MOs

Info

ID:

310665

PubChem CID:

126584197

Reduced:

FSO5N6C27H35 (1)

Stoich.:

ABC5D6E27F35 (1)

Weight, g/mol:

574.237368

ΔHf, kcal/mol:

-166.37

Dipole, Da:

8.02

IP(EA), eV:

 -8.72(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(1R,5R,6S)-5-[5-[(5-ethoxypyrazine-2-carbonyl)amino]-2-fluorophenyl]-2,2,5-trimethyl-1-oxo-1lambda6-thia-4,9-diazabicyclo[4.3.0]nona-1(9),3-dien-3-yl]carbamate

Drug info:

PubChemData

Smile

CCOC1=NC=C(N=C1)C(=O)NC2=CC(=C(C=C2)F)[C@@]3([C@@H]4CCN=S4(=O)C(C(=N3)NC(=O)OC(C)(C)C)(C)C)C

DOS

IR

Vibrations