Geometry & MOs

Info

ID:

92367

PubChem CID:

49985323

Reduced:

ClO4N5C33H44 (1)

Stoich.:

AB4C5D33E44 (1)

Weight, g/mol:

712.374847

ΔHf, kcal/mol:

-186.33

Dipole, Da:

7.58

IP(EA), eV:

 -8.72(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations