Geometry & MOs

Info

ID:

49394

PubChem CID:

11532964

Reduced:

SF2O2N7C21H21 (1)

Stoich.:

AB2C2D7E21F21 (1)

Weight, g/mol:

473.168365

ΔHf, kcal/mol:

-73.91

Dipole, Da:

3.69

IP(EA), eV:

 -8.69(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (1S,2S,4S,5R,6S)-2-(diethylcarbamoyloxy)-3,3-difluoro-6-hydroxy-1,4-dimethyl-5-phenylsulfanyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CC1(C(=O)NC(=O)N1CCNC2=NC=C(C(=N2)C3=NC=C(S3)N(C)C4=CC=C(C=C4)F)F)C

DOS

IR

Vibrations