Geometry & MOs

Info

ID:

325121

PubChem CID:

126680989

Reduced:

O3F8H16C24 (1)

Stoich.:

A3B8C16D24 (1)

Weight, g/mol:

617.22836

ΔHf, kcal/mol:

-448.67

Dipole, Da:

7.71

IP(EA), eV:

 -9.71(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S)-2-amino-3-(3,4-difluorophenyl)-N-[2-[2-(2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)ethyl]-3-fluorophenyl]-3-(6-methoxypyridin-3-yl)propanamide

Drug info:

PubChemData

Smile

CC1COC(OC1)C2=CC(=C(C(=C2)F)C(OC3=CC(=C(C(=C3)F)C4=CC(=C(C=C4)F)F)F)(F)F)F

DOS

IR

Vibrations