Geometry & MOs

Info

ID:

101280

PubChem CID:

50064539

Reduced:

BrClF2O4N5C33H33 (1)

Stoich.:

ABC2D4E5F33G33 (1)

Weight, g/mol:

639.246867

ΔHf, kcal/mol:

-213.09

Dipole, Da:

8.98

IP(EA), eV:

 -8.99(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,4-difluorophenyl)-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(=C(C=C5)Br)Cl

DOS

IR

Vibrations