Geometry & MOs

Info

ID:

100685

PubChem CID:

50063630

Reduced:

ClF2O5N6C41H43 (1)

Stoich.:

AB2C5D6E41F43 (1)

Weight, g/mol:

750.334125

ΔHf, kcal/mol:

-257.66

Dipole, Da:

15.3

IP(EA), eV:

 -8.91(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-methyl-5-[(2-methylphenyl)carbamoyl]phenyl]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)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=CC=C5C)Cl

DOS

IR

Vibrations