Geometry & MOs

Info

ID:

109015

PubChem CID:

50268815

Reduced:

ClFO5N6C33H36 (1)

Stoich.:

ABC5D6E33F36 (1)

Weight, g/mol:

623.347155

ΔHf, kcal/mol:

-223.91

Dipole, Da:

2.5

IP(EA), eV:

 -8.72(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(cyclopentylcarbamoyl)-2-methylphenyl]-1-[1-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)N)C)F

DOS

IR

Vibrations