Geometry & MOs

Info

ID:

108883

PubChem CID:

50263005

Reduced:

N5O5C37H45 (1)

Stoich.:

A5B5C37D45 (1)

Weight, g/mol:

647.310769

ΔHf, kcal/mol:

-174.9

Dipole, Da:

10.46

IP(EA), eV:

 -8.41(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(4-methoxybenzoyl)amino]-4-methylphenyl]-1-[1-[2-methyl-4-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5CCCCC5

DOS

IR

Vibrations