Geometry & MOs

Info

ID:

320966

PubChem CID:

126664307

Reduced:

SF2N4O6C30H40 (1)

Stoich.:

AB2C4D6E30F40 (1)

Weight, g/mol:

620.248012

ΔHf, kcal/mol:

-296.65

Dipole, Da:

3.29

IP(EA), eV:

 -8.7(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3R)-1-[2-[2-[(6R,9S)-2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl]-3-fluoroanilino]-3-(4-fluorophenyl)-3-(3-methoxycyclobutyl)-1-oxopropan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

COC1CC(C1)[C@H](C2=CC=C(C=C2)F)[C@@H](C(=O)NC3=C(C(=CC=C3)F)CC[C@H]4CN[C@@H]5CCCS(N4C5)(O)O)NC(=O)O

DOS

IR

Vibrations