Geometry & MOs

Info

ID:

100185

PubChem CID:

50059075

Reduced:

O4N5C32H37 (1)

Stoich.:

A4B5C32D37 (1)

Weight, g/mol:

640.300933

ΔHf, kcal/mol:

-133.45

Dipole, Da:

6.95

IP(EA), eV:

 -8.66(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)C)C

DOS

IR

Vibrations