Geometry & MOs

Info

ID:

98430

PubChem CID:

50044040

Reduced:

ClFO4N5C37H37 (1)

Stoich.:

ABC4D5E37F37 (1)

Weight, g/mol:

726.297739

ΔHf, kcal/mol:

-157.94

Dipole, Da:

10.12

IP(EA), eV:

 -8.64(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-benzamido-3-methoxyanilino)-1-oxopropan-2-yl]-1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=CC=C5C)Cl

DOS

IR

Vibrations