Geometry & MOs

Info

ID:

109604

PubChem CID:

50290717

Reduced:

ClFO4N5C33H37 (1)

Stoich.:

ABC4D5E33F37 (1)

Weight, g/mol:

738.334125

ΔHf, kcal/mol:

-191.7

Dipole, Da:

11.93

IP(EA), eV:

 -8.77(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-[(2-fluoro-4-methylphenyl)carbamoyl]anilino]-3-oxopropyl]-1-[1-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)NC(C)C

DOS

IR

Vibrations