Geometry & MOs

Info

ID:

313781

PubChem CID:

126617579

Reduced:

ClSF2N5O5H20C26 (1)

Stoich.:

ABC2D5E5F20G26 (1)

Weight, g/mol:

610.226134

ΔHf, kcal/mol:

-184.94

Dipole, Da:

10.41

IP(EA), eV:

 -9.06(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-acetyl-N-cyclopropylsulfonyl-1-[2-[(2S,4R)-4-fluoro-2-(4-phenylbutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]indole-5-carboxamide

Drug info:

PubChemData

Smile

C1[C@H](CN([C@@H]1C(=O)NC2=CC=CC(=C2F)C3=CC=CC=C3Cl)C(=O)CN4C5=C(C(=N4)C(=O)N)SC(=C5)C(=O)O)F

DOS

IR

Vibrations