Geometry & MOs

Info

ID:

325910

PubChem CID:

126685512

Reduced:

ClF2N2O2H15C16 (1)

Stoich.:

AB2C2D2E15F16 (1)

Weight, g/mol:

666.321784

ΔHf, kcal/mol:

-152.47

Dipole, Da:

5.85

IP(EA), eV:

 -9.85(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(1R,2S)-1-(4-chlorophenyl)-1-(2,2-dimethyloxan-4-yl)-3-[[(1S,2R)-2-[3-[(6R,9S)-2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]propyl]cyclopentyl]amino]-3-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C1=CN=CC(=C1)[C@H](C2=CC=C(C=C2)Cl)[C@@H](C(=O)O)N)(F)F

DOS

IR

Vibrations