Geometry & MOs

Info

ID:

110248

PubChem CID:

50317205

Reduced:

F2N6O6C41H42 (1)

Stoich.:

A2B6C6D41E42 (1)

Weight, g/mol:

627.322083

ΔHf, kcal/mol:

-261.7

Dipole, Da:

12.35

IP(EA), eV:

 -8.76(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)NC(=O)C6=CC=C(C=C6)OC)F

DOS

IR

Vibrations