Geometry & MOs

Info

ID:

100367

PubChem CID:

50060537

Reduced:

ClFO5N6C42H52 (1)

Stoich.:

ABC5D6E42F52 (1)

Weight, g/mol:

760.351525

ΔHf, kcal/mol:

-260.14

Dipole, Da:

11.47

IP(EA), eV:

 -8.67(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)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)F)C)C)Cl

DOS

IR

Vibrations