Geometry & MOs

Info

ID:

98343

PubChem CID:

50042944

Reduced:

ClF2O5N6C32H33 (1)

Stoich.:

AB2C5D6E32F33 (1)

Weight, g/mol:

730.24783

ΔHf, kcal/mol:

-264.4

Dipole, Da:

7.58

IP(EA), eV:

 -9.0(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-bromo-3-(propan-2-ylcarbamoyl)phenyl]-1-[1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)C(=O)N)Cl

DOS

IR

Vibrations