Geometry & MOs

Info

ID:

90834

PubChem CID:

49972256

Reduced:

FO5N6C40H49 (1)

Stoich.:

AB5C6D40E49 (1)

Weight, g/mol:

724.394833

ΔHf, kcal/mol:

-234.44

Dipole, Da:

10.29

IP(EA), eV:

 -8.68(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-methoxy-3-[(2-methylbenzoyl)amino]anilino]-3-oxopropyl]-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)NCCC(=O)NC4=CC=CC=C4C(=O)NC5=C(C=C(C=C5)C)F

DOS

IR

Vibrations