Geometry & MOs

Info

ID:

325853

PubChem CID:

126685307

Reduced:

SO2F4N4C33H36 (1)

Stoich.:

AB2C4D4E33F36 (1)

Weight, g/mol:

656.204704

ΔHf, kcal/mol:

-133.17

Dipole, Da:

7.8

IP(EA), eV:

 -8.62(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(1R,2S)-1-(4-chlorophenyl)-1-(3,3-difluorocyclobutyl)-3-[2-[2-(2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)ethyl]-3-fluoroanilino]-3-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CS(=O)CCCC1C#CCNC(CN1)CCC2=C(C=CC=C2F)NC(=O)[C@H]([C@@H](C3=CC=C(C=C3)F)C4=CC(=CC(=C4)F)F)N

DOS

IR

Vibrations