Geometry & MOs

Info

ID:

99027

PubChem CID:

50047889

Reduced:

BrF2O4N5C36H40 (1)

Stoich.:

AB2C4D5E36F40 (1)

Weight, g/mol:

635.271939

ΔHf, kcal/mol:

-219.44

Dipole, Da:

5.55

IP(EA), eV:

 -9.04(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-(2-fluorophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5C)Br)C

DOS

IR

Vibrations