Geometry & MOs

Info

ID:

114998

PubChem CID:

50505311

Reduced:

ClF2O4N5C25H28 (1)

Stoich.:

AB2C4D5E25F28 (1)

Weight, g/mol:

766.304574

ΔHf, kcal/mol:

-242.91

Dipole, Da:

8.12

IP(EA), eV:

 -9.0(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-[(3-methylbenzoyl)amino]phenyl]-1-[1-[2-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations