Geometry & MOs

Info

ID:

96526

PubChem CID:

50021919

Reduced:

FN6O6C40H43 (1)

Stoich.:

AB6C6D40E43 (1)

Weight, g/mol:

726.273274

ΔHf, kcal/mol:

-218.37

Dipole, Da:

11.04

IP(EA), eV:

 -8.61(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(3-chlorobenzoyl)amino]anilino]-2-oxoethyl]-1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)NC(=O)C5=CC(=CC=C5)OC

DOS

IR

Vibrations