Geometry & MOs

Info

ID:

108295

PubChem CID:

50240256

Reduced:

ClF3O4N5C33H33 (1)

Stoich.:

AB3C4D5E33F33 (1)

Weight, g/mol:

680.232552

ΔHf, kcal/mol:

-264.88

Dipole, Da:

8.67

IP(EA), eV:

 -9.01(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations