Geometry & MOs

Info

ID:

325814

PubChem CID:

126685090

Reduced:

N3O3H17C23 (1)

Stoich.:

A3B3C17D23 (1)

Weight, g/mol:

606.244283

ΔHf, kcal/mol:

-46.43

Dipole, Da:

4.48

IP(EA), eV:

 -8.83(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-2-amino-3-(4-chlorophenyl)-3-(2,2-dimethyloxan-4-yl)-N-[2-[2-[(5R,8S)-2,2-dioxo-2lambda6-thia-1,6-diazabicyclo[3.3.1]nonan-8-yl]ethyl]-3-fluorophenyl]propanamide

Drug info:

PubChemData

Smile

CN(C)C1=C2C=CC=C3C2=C(C=C1)C(=O)/C(=C\4/NC5=CC=CC=C5C(=O)N4)/C3=O

DOS

IR

Vibrations