Geometry & MOs

Info

ID:

310663

PubChem CID:

126584180

Reduced:

ClSO2F4N5C22H22 (1)

Stoich.:

ABC2D4E5F22G22 (1)

Weight, g/mol:

567.231554

ΔHf, kcal/mol:

-193.99

Dipole, Da:

0.91

IP(EA), eV:

 -9.08(-1.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(1R,5R,6S)-5-[5-[(4-cyano-2-methylbenzoyl)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

C[C@]1([C@@H]2CCN=[S@]2(=O)C(C(=N1)N)(C)C)C3=C(C=CC(=C3)NC(=O)C4=C(C=C(C=N4)C(F)(F)F)Cl)F

DOS

IR

Vibrations