Geometry & MOs

Info

ID:

321006

PubChem CID:

126664397

Reduced:

FN3O3C16H20 (1)

Stoich.:

AB3C3D16E20 (1)

Weight, g/mol:

757.327598

ΔHf, kcal/mol:

-98.68

Dipole, Da:

3.06

IP(EA), eV:

 -9.82(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 4-[(1R,2R)-1-(4-chlorophenyl)-3-[[(1S,2R)-2-[2-[(6R,9S)-2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl]cyclopentyl]amino]-2-(methoxycarbonylamino)-3-oxopropyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1(CC(CCO1)[C@H](C2=CC=C(C=C2)F)[C@@H](C(=O)O)N=[N+]=[N-])C

DOS

IR

Vibrations