Geometry & MOs

Info

ID:

320951

PubChem CID:

126664288

Reduced:

SF2N4O5C31H40 (1)

Stoich.:

AB2C4D5E31F40 (1)

Weight, g/mol:

578.212983

ΔHf, kcal/mol:

-254.21

Dipole, Da:

9.15

IP(EA), eV:

 -9.37(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-2-[4-(4-chlorophenyl)oxan-4-yl]-N-[2-[2-[(9S)-2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl]-3-fluorophenyl]acetamide

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@H](C1)CC[C@H]2CN[C@@H]3CCCS(=O)(=O)N2C3)NC(=O)[C@H](C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)NC(=O)O

DOS

IR

Vibrations