Geometry & MOs

Info

ID:

99391

PubChem CID:

50050529

Reduced:

F2N6O7C38H44 (1)

Stoich.:

A2B6C7D38E44 (1)

Weight, g/mol:

732.34469

ΔHf, kcal/mol:

-330.14

Dipole, Da:

5.95

IP(EA), eV:

 -8.91(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-(cyclopentylcarbamoyl)-2-methoxyanilino]-1-oxopropan-2-yl]-1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)OC

DOS

IR

Vibrations