Geometry & MOs

Info

ID:

90627

PubChem CID:

49970757

Reduced:

FO5N6C33H43 (1)

Stoich.:

AB5C6D33E43 (1)

Weight, g/mol:

583.297011

ΔHf, kcal/mol:

-261.31

Dipole, Da:

5.01

IP(EA), eV:

 -8.56(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2,4-difluoroanilino)-2-oxoethyl]-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)F)NC(=O)C

DOS

IR

Vibrations