Geometry & MOs

Info

ID:

113479

PubChem CID:

50447542

Reduced:

ClFO5N6C40H42 (1)

Stoich.:

ABC5D6E40F42 (1)

Weight, g/mol:

740.288924

ΔHf, kcal/mol:

-207.14

Dipole, Da:

5.11

IP(EA), eV:

 -8.54(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-chloro-4-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]-1-[1-[3-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5C)Cl)C

DOS

IR

Vibrations