Geometry & MOs

Info

ID:

91436

PubChem CID:

49975903

Reduced:

F3N5O5C29H34 (1)

Stoich.:

A3B5C5D29E34 (1)

Weight, g/mol:

690.374098

ΔHf, kcal/mol:

-314.86

Dipole, Da:

5.93

IP(EA), eV:

 -9.25(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C(=C(C=C4)F)F)F

DOS

IR

Vibrations