Geometry & MOs

Info

ID:

162726

PubChem CID:

57551963

Reduced:

SO2F3N4C22H29 (1)

Stoich.:

AB2C3D4E22F29 (1)

Weight, g/mol:

446.218365

ΔHf, kcal/mol:

-207.43

Dipole, Da:

5.75

IP(EA), eV:

 -8.62(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(1S)-2-[(6R)-6-chloro-3,3-dimethoxy-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)O)N[C@@H](C1=CC=C(C=C1)C2=CSC(=N2)N3CCN(CC3)C)C(F)(F)F

DOS

IR

Vibrations