Geometry & MOs

Info

ID:

114537

PubChem CID:

50487209

Reduced:

ClF2O5N6C34H37 (1)

Stoich.:

AB2C5D6E34F37 (1)

Weight, g/mol:

738.273274

ΔHf, kcal/mol:

-260.48

Dipole, Da:

6.9

IP(EA), eV:

 -9.15(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(2-chlorobenzoyl)amino]phenyl]-1-[1-[2-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)C(=O)N(C)C)Cl)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations