Geometry & MOs

Info

ID:

113552

PubChem CID:

50450340

Reduced:

F4O5N6H36C38 (1)

Stoich.:

A4B5C6D36E38 (1)

Weight, g/mol:

690.316583

ΔHf, kcal/mol:

-315.35

Dipole, Da:

6.9

IP(EA), eV:

 -8.94(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-methoxy-5-(phenylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[2-methyl-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=C(C=C4)F)F)C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations