Geometry & MOs

Info

ID:

321034

PubChem CID:

126664495

Reduced:

N2O4C27H30 (1)

Stoich.:

A2B4C27D30 (1)

Weight, g/mol:

635.270832

ΔHf, kcal/mol:

-103.62

Dipole, Da:

5.02

IP(EA), eV:

 -8.63(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)OC)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations