Geometry & MOs

Info

ID:

102091

PubChem CID:

50065370

Reduced:

ClFO5N6C43H48 (1)

Stoich.:

ABC5D6E43F48 (1)

Weight, g/mol:

782.335875

ΔHf, kcal/mol:

-225.16

Dipole, Da:

9.38

IP(EA), eV:

 -8.45(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=CC(=C(C=C2)Cl)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=C(C=C5)C)F)C

DOS

IR

Vibrations