Geometry & MOs

Info

ID:

116951

PubChem CID:

50581882

Reduced:

ClN6O6C39H55 (1)

Stoich.:

AB6C6D39E55 (1)

Weight, g/mol:

746.335875

ΔHf, kcal/mol:

-277.15

Dipole, Da:

9.74

IP(EA), eV:

 -9.19(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4C)OC)Cl

DOS

IR

Vibrations