Geometry & MOs

Info

ID:

92225

PubChem CID:

49984430

Reduced:

F2O4N5C35H39 (1)

Stoich.:

A2B4C5D35E39 (1)

Weight, g/mol:

631.297011

ΔHf, kcal/mol:

-218.28

Dipole, Da:

7.07

IP(EA), eV:

 -8.83(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations