Geometry & MOs

Info

ID:

325815

PubChem CID:

126685093

Reduced:

ClFSN4O4C30H40 (1)

Stoich.:

ABCD4E4F30G40 (1)

Weight, g/mol:

650.205372

ΔHf, kcal/mol:

-207.81

Dipole, Da:

5.2

IP(EA), eV:

 -9.12(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S)-2-amino-3-(4-chlorophenyl)-3-[6-(1,1-difluoroethyl)pyridin-3-yl]-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

CC1(CC(CCO1)[C@H](C2=CC=C(C=C2)Cl)[C@@H](C(=O)NC3=C(C(=CC=C3)F)CC[C@H]4CN[C@@H]5CCS(=O)(=O)N4C5)N)C

DOS

IR

Vibrations