Geometry & MOs

Info

ID:

118008

PubChem CID:

50624112

Reduced:

ClF2O4N5C32H32 (1)

Stoich.:

AB2C4D5E32F32 (1)

Weight, g/mol:

656.288924

ΔHf, kcal/mol:

-205.85

Dipole, Da:

7.92

IP(EA), eV:

 -8.7(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-chloro-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-fluoro-3-(2-methylbutanoylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4=CC=CC=C4)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations