Geometry & MOs

Info

ID:

325906

PubChem CID:

126685504

Reduced:

ClSF2O4N5C31H42 (1)

Stoich.:

ABC2D4E5F31G42 (1)

Weight, g/mol:

717.146952

ΔHf, kcal/mol:

-216.6

Dipole, Da:

12.88

IP(EA), eV:

 -8.97(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(1R,2S)-1-(4-chlorophenyl)-3-[2-[2-[(6R)-2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl]-3-fluoroanilino]-3-oxo-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCOC1CCC(CC1)[C@H](C2=CC(=C(C=C2)Cl)F)[C@@H](C(=O)NC3=CN=CC(=C3CC[C@H]4CN[C@@H]5CCCS(=O)(=O)N4C5)F)N

DOS

IR

Vibrations