Geometry & MOs

Info

ID:

101107

PubChem CID:

50064365

Reduced:

Cl2F2O4N5C33H33 (1)

Stoich.:

A2B2C4D5E33F33 (1)

Weight, g/mol:

681.17622

ΔHf, kcal/mol:

-229.19

Dipole, Da:

9.71

IP(EA), eV:

 -8.98(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-bromophenyl)-1-[1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=CC(=C5)Cl)Cl

DOS

IR

Vibrations