Geometry & MOs

Info

ID:

320994

PubChem CID:

126664371

Reduced:

N2O2C11H14 (2)

Stoich.:

A2B2C11D14 (2)

Weight, g/mol:

666.269891

ΔHf, kcal/mol:

-117.45

Dipole, Da:

5.21

IP(EA), eV:

 -8.73(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N[C@H](CC1=CC=C(C=C1)OC)C(=O)NNC(=O)[C@H](CC2=CC=CC=C2)NC

DOS

IR

Vibrations