Geometry & MOs

Info

ID:

325917

PubChem CID:

126685549

Reduced:

SF2N5O6C30H41 (1)

Stoich.:

AB2C5D6E30F41 (1)

Weight, g/mol:

627.225773

ΔHf, kcal/mol:

-315.39

Dipole, Da:

2.22

IP(EA), eV:

 -9.03(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-2-amino-3-(4-chlorophenyl)-3-(4,4-difluorocyclohexyl)-N-[4-[2-[(6R)-2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl]-5-fluoropyridin-3-yl]propanamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N1CCNC[C@@H]1CCC2=C(C=NC=C2NC(=O)[C@H](C(C3CCOCC3)C4=CC=C(C=C4)F)NC(=O)OC)F

DOS

IR

Vibrations