Geometry & MOs

Info

ID:

325893

PubChem CID:

126685459

Reduced:

SF2N4O6C32H46 (1)

Stoich.:

AB2C4D6E32F46 (1)

Weight, g/mol:

707.154752

ΔHf, kcal/mol:

-338.81

Dipole, Da:

5.37

IP(EA), eV:

 -9.06(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(1S,2S)-1-(4-chloro-3-fluorophenyl)-1-(5-chloropyridin-3-yl)-3-[2-[2-(6-ethynyl-1,1-dioxo-1,2,5-thiadiazonan-3-yl)ethyl]-3-fluoroanilino]-3-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

COCC(CCCF)(C1=CC=C(C=C1)F)[C@@H](C(=O)NC2=CC=CC=C2CC[C@H]3CNC(CN3)CCCS(=O)(=O)C)NC(=O)OC

DOS

IR

Vibrations