Geometry & MOs

Info

ID:

105125

PubChem CID:

50106435

Reduced:

O5N6C32H42 (1)

Stoich.:

A5B6C32D42 (1)

Weight, g/mol:

578.285283

ΔHf, kcal/mol:

-204.37

Dipole, Da:

15.09

IP(EA), eV:

 -8.79(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-[3-(morpholine-4-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)N)C

DOS

IR

Vibrations