Geometry & MOs

Info

ID:

325912

PubChem CID:

126685532

Reduced:

F2O3N4C37H40 (1)

Stoich.:

A2B3C4D37E40 (1)

Weight, g/mol:

652.234254

ΔHf, kcal/mol:

-75.75

Dipole, Da:

4.51

IP(EA), eV:

 -8.58(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)N[C@@H]([C@@H](C1=CC=C(C=C1)F)C2=CC=CC(=C2)C3CC3)C(=O)NC4=C(C(=CC=C4)F)CCC5CNC6CCCN5CC#C6

DOS

IR

Vibrations