Geometry & MOs

Info

ID:

313877

PubChem CID:

126618387

Reduced:

FN3O4H12C16 (1)

Stoich.:

AB3C4D12E16 (1)

Weight, g/mol:

711.198141

ΔHf, kcal/mol:

-109.01

Dipole, Da:

3.24

IP(EA), eV:

 -9.41(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[2-[3-acetyl-5-[2-[(3-methyloxetan-3-yl)methylsulfinyl]ethoxy]indol-1-yl]acetyl]-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C=C2)OC3=NC=C(C=N3)F)CC(=O)O

DOS

IR

Vibrations