Geometry & MOs

Info

ID:

109016

PubChem CID:

50268861

Reduced:

O4N5C37H45 (1)

Stoich.:

A4B5C37D45 (1)

Weight, g/mol:

726.273274

ΔHf, kcal/mol:

-144.53

Dipole, Da:

5.63

IP(EA), eV:

 -8.6(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(3-chlorobenzoyl)amino]anilino]-3-oxopropyl]-1-[1-[4-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4C)C(=O)NC5CCCC5)C

DOS

IR

Vibrations