Geometry & MOs

Info

ID:

115145

PubChem CID:

50511372

Reduced:

ClF2O5N6C35H37 (1)

Stoich.:

AB2C5D6E35F37 (1)

Weight, g/mol:

694.248202

ΔHf, kcal/mol:

-268.48

Dipole, Da:

3.25

IP(EA), eV:

 -9.06(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-(3-carbamoyl-4-chloroanilino)-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N)C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations